Geometry & MOs

Info

ID:	16589
PubChem CID:	473358
Reduced:	BrClON6H16C20 (1)
Stoich.:	ABCD6E16F20 (1)
Weight, g/mol:	470.02575
ΔH_f, kcal/mol:	87.64
Dipole, Da:	5.02
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[7-bromo-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-methyl-1H-imidazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl

DOS

IR

Vibrations