Geometry & MOs

Info

ID:	297773
PubChem CID:	117630324
Reduced:	O2F4N5H19C23 (1)
Stoich.:	A2B4C5D19E23 (1)
Weight, g/mol:	325.121512
ΔH_f, kcal/mol:	-170.18
Dipole, Da:	5.94
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1H-benzimidazol-2-ylmethyl)phenyl]-2-hydroxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C(=O)N2C[C@@H]3C[C@H]2[C@@H](C3)OC4=NC=C(C=C4)C(F)(F)F)C5=NC=C(C=N5)F

DOS

IR

Vibrations