Geometry & MOs

Info

ID:	136090
PubChem CID:	51977376
Reduced:	ClON3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	1.95
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752021
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[6-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1CCC[NH+](C)C)C=C(C=C2)Cl)O

DOS

IR

Vibrations