Geometry & MOs

Info

ID:	50817
PubChem CID:	12013406
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	429.168856
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	8.94
IP(EA), eV:	-8.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-9,10-diethoxy-4-imino-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)OC)OC)OCC

DOS

IR

Vibrations