Geometry & MOs

Info

ID:	320211
PubChem CID:	126658723
Reduced:	N2H26C29 (1)
Stoich.:	A2B26C29 (1)
Weight, g/mol:	414.209599
ΔH_f, kcal/mol:	92.72
Dipole, Da:	1.74
IP(EA), eV:	-7.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-3-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)benzo[b][1]benzazepine

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2CC3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C6C5)C

DOS

IR

Vibrations