Geometry & MOs

Info

ID:	286205
PubChem CID:	104161215
Reduced:	F2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	330.053798
ΔH_f, kcal/mol:	-185.71
Dipole, Da:	3.28
IP(EA), eV:	-9.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,6-dichloro-2-(3-methoxybutyl)benzimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCC1=NC2=CC(=C(C=C2N1CC(=O)O)F)F)OC

DOS

IR

Vibrations