Geometry & MOs

Info

ID:	50813
PubChem CID:	12013402
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	15.44
Dipole, Da:	9.21
IP(EA), eV:	-8.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-diethoxy-4-imino-2-(4-methoxyphenyl)-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)C)OCC

DOS

IR

Vibrations