Geometry & MOs

Info

ID:	288049
PubChem CID:	104310256
Reduced:	FN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	9.57
IP(EA), eV:	-9.34(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(2-methylbutan-2-yl)-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations