Geometry & MOs

Info

ID:	438879
PubChem CID:	135228639
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	406.240899
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	14.19
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-tert-butyl-10-methyl-2-methylidene-9-(3-methylphenyl)-6,7-dihydrobenzo[a]quinolizin-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations