Geometry & MOs

Info

ID:	50819
PubChem CID:	12013408
Reduced:	O3N4C29H32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	2.74
IP(EA), eV:	-8.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN3C2(N(N=C3C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)C)C)OCC

DOS

IR

Vibrations