Geometry & MOs

Info

ID:	81500
PubChem CID:	49854795
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	417.08004
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	8.86
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

COCCN1C2=C(C=C(C=C2)C3CC3)N=C1NC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations