Geometry & MOs

Info

ID:	322229
PubChem CID:	126669290
Reduced:	N2O4C39H48 (1)
Stoich.:	A2B4C39D48 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	-95.81
Dipole, Da:	2.92
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCOC(CN(CCC)CCNC(=O)OCC1=CC=CC=C1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations