Geometry & MOs

Info

ID:	81401
PubChem CID:	49854685
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	388.05349
ΔH_f, kcal/mol:	19.24
Dipole, Da:	8.01
IP(EA), eV:	-8.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-bromo-1-propan-2-ylbenzimidazol-2-yl)amino]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations