Geometry & MOs

Info

ID:	282623
PubChem CID:	103933284
Reduced:	ClINO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-82.92
Dipole, Da:	4.3
IP(EA), eV:	-9.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)O)NC(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations