Geometry & MOs

Info

ID:	81402
PubChem CID:	49854686
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	19.1
Dipole, Da:	5.94
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[1-(2-methoxyethyl)-5-phenylbenzimidazol-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CC(=C2)Br)N=C1NC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations