Geometry & MOs

Info

ID:	399154
PubChem CID:	135038324
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	256.076726
ΔH_f, kcal/mol:	-1.93
Dipole, Da:	3.93
IP(EA), eV:	-9.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2,6-dimethyl-5H-benzo[b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CC2=CC=CC=C12

DOS

IR

Vibrations