Geometry & MOs

Info

ID:	288053
PubChem CID:	104310295
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	-74.4
Dipole, Da:	9.27
IP(EA), eV:	-9.48(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-[(4-methylphenyl)methyl]-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC3=C(N2)C=C(C(=C3)C(=O)O)F

DOS

IR

Vibrations