Geometry & MOs

Info

ID:	81405
PubChem CID:	49854689
Reduced:	BrO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-8.57
Dipole, Da:	5.88
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

COCCN1C2=C(C=C(C=C2)Br)N=C1NC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations