Geometry & MOs

Info

ID:	23786
PubChem CID:	606092
Reduced:	ClNH16C21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	317.097127
ΔH_f, kcal/mol:	85.51
Dipole, Da:	2.92
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-chlorophenyl)methyl]benzo[b][1]benzazepine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations