Geometry & MOs

Info

ID:	50814
PubChem CID:	12013403
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	419.140055
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	9.3
IP(EA), eV:	-8.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-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)OC)OCC

DOS

IR

Vibrations