Geometry & MOs

Info

ID:	50810
PubChem CID:	12013399
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	2.4
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-diethoxy-4-oxo-2-phenyl-6,7-dihydrobenzo[a]quinolizine-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN3C2(N(N=C3C(=O)OCC)C4=CC=CC=C4)C)OCC

DOS

IR

Vibrations