Geometry & MOs

Info

ID:	159854
PubChem CID:	57288821
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	570.309372
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	2.98
IP(EA), eV:	-8.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R,4aR,7S,7aR,12bS)-9-hydroxy-7-[3-(3-methylphenyl)prop-2-enoyl-(2-methylpropyl)amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-yl]prop-1-en-2-yl acetate

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

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=NN)C=C[C@]34C

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

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=NN)C=C[C@]34C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):