Geometry & MOs

Info

ID:	288054
PubChem CID:	104310300
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	276.05219
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	9.49
IP(EA), eV:	-9.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(3,3,3-trifluoropropyl)-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C(=C3)C(=O)O)F

DOS

IR

Vibrations