Geometry & MOs

Info

ID:	449423
PubChem CID:	135298460
Reduced:	N3C31H35 (1)
Stoich.:	A3B31C35 (1)
Weight, g/mol:	415.298748
ΔH_f, kcal/mol:	87.59
Dipole, Da:	4.45
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-1-[6-(2-methyl-1,2,3,4,4a,5-hexahydroquinolin-8-yl)pyridin-2-yl]methanimine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC=C2)C3=CC=CC(=N3)C4=C5C(CCN5)C=C4

DOS

IR

Vibrations