Geometry & MOs

Info

ID:	50811
PubChem CID:	12013400
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	9.01
IP(EA), eV:	-8.83(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations