Geometry & MOs

Info

ID:	89643
PubChem CID:	49963259
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	272.071641
ΔH_f, kcal/mol:	42.91
Dipole, Da:	3.74
IP(EA), eV:	-9.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(1-methylbenzimidazol-2-yl)methanol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(C2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations