Geometry & MOs

Info

ID:	124295
PubChem CID:	50877177
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	293.165876
ΔH_f, kcal/mol:	35.07
Dipole, Da:	4.55
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-butan-2-yl-5-chlorobenzimidazol-2-yl)pentan-1-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC2=CC=NC3=CC=CC=C32

DOS

IR

Vibrations