Geometry & MOs

Info

ID:	439021
PubChem CID:	135228784
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	453.278013
ΔH_f, kcal/mol:	21.26
Dipole, Da:	1.76
IP(EA), eV:	-8.81(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-tert-butyl-3-(1-ethoxyethenyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-9-yl]-N-prop-1-en-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1/C(=C/N=CC)/C

DOS

IR

Vibrations