Geometry & MOs

Info

ID:	438741
PubChem CID:	135228494
Reduced:	N3O5C34H47 (1)
Stoich.:	A3B5C34D47 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	3.15
IP(EA), eV:	-8.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-[(Z)-1-amino-3-(3-hydroxypropylimino)prop-1-en-2-yl]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C/C)/C(=O)/C=C/1\C(=C)C(CC2=CC(=C(C=C21)OC)/C(=C/N(C)CCN3CCOCC3)/C=N)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C/C)/C(=O)/C=C/1\C(=C)C(CC2=CC(=C(C=C21)OC)/C(=C/N(C)CCN3CCOCC3)/C=N)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):