Geometry & MOs

Info

ID:	50815
PubChem CID:	12013404
Reduced:	ClO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	463.08954
ΔH_f, kcal/mol:	16.51
Dipole, Da:	11.76
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-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)Cl)OCC

DOS

IR

Vibrations