Geometry & MOs

Info

ID:	50812
PubChem CID:	12013401
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	10.47
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations