Geometry & MOs

Info

ID:	62246
PubChem CID:	26718559
Reduced:	BrN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	462.06914
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	2.67
IP(EA), eV:	-9.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-benzylbenzimidazol-1-yl)acetyl]-4-bromobenzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC(=O)NCCC(=O)NNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations