Geometry & MOs

Info

ID:	84078
PubChem CID:	49864010
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	474.194343
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	3.37
IP(EA), eV:	-8.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(C(=O)C3=C(O2)C=CC(=C3)N)OC

DOS

IR

Vibrations