Geometry & MOs

Info

ID:	50816
PubChem CID:	12013405
Reduced:	BrO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	27.23
Dipole, Da:	9.45
IP(EA), eV:	-8.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-9,10-diethoxy-4-imino-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=C(C=C4)Br)OCC

DOS

IR

Vibrations