Geometry & MOs

Info

ID:	438874
PubChem CID:	135228634
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	412.251464
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	9.56
IP(EA), eV:	-9.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-ethyl-2-methylidene-9-(2-methylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations