Geometry & MOs

Info

ID:

377764

PubChem CID:

134223829

Reduced:

ClNO5C25H30 (1)

Stoich.:

ABC5D25E30 (1)

Weight, g/mol:

499.257003

ΔHf, kcal/mol:

-187.05

Dipole, Da:

11.99

IP(EA), eV:

 -9.08(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 10-methoxy-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)Cl)OCC4CC(C4)OC)C(C)C

DOS

IR

Vibrations