Geometry & MOs

Info

ID:	25920
PubChem CID:	633812
Reduced:	BrNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	393.91394
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	5.82
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1CCC23CC(=O)C(=O)CC2C1CC4=CC(=C(C(=C34)O)OC)Br

DOS

IR

Vibrations