Geometry & MOs

Info

ID:	62292
PubChem CID:	26718983
Reduced:	BrN3O6H16C17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	462.06914
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	5.07
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-bromobenzohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=CC=C2Br)OC

DOS

IR

Vibrations