Geometry & MOs

Info

ID:	142178
PubChem CID:	52997064
Reduced:	ClN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-2.33
Dipole, Da:	5.59
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-amino-1H-benzimidazol-2-yl)pentan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CN.Cl

DOS

IR

Vibrations