Geometry & MOs

Info

ID:	84073
PubChem CID:	49863998
Reduced:	NF3O4H14C19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	448.07864
ΔH_f, kcal/mol:	-249.54
Dipole, Da:	6.83
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-bromo-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations