Geometry & MOs

Info

ID:	53121
PubChem CID:	14709620
Reduced:	NOCl2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	309.103275
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	3.08
IP(EA), eV:	-9.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-3-methyl-11-phenyl-6,11-dihydro-5H-[1,2,4]triazolo[3,4-b][3]benzazepine

Drug info:

PubChemData

Smile

C1CNC(=O)C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations