Geometry & MOs

Info

ID:	130298
PubChem CID:	51075545
Reduced:	NS2O3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	256.101191
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	4.91
IP(EA), eV:	-9.17(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=CS3

DOS

IR

Vibrations