Geometry & MOs

Info

ID:	284840
PubChem CID:	104076413
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	263.105862
ΔH_f, kcal/mol:	30.38
Dipole, Da:	3.8
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-4-(1-hydroxyethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=CC(=C2)C#N)C(C)O

DOS

IR

Vibrations