Geometry & MOs

Info

ID:	140746
PubChem CID:	52752411
Reduced:	FO3N5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	439.180839
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	4.78
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC3=C(N2)C=C(C=C3)NC(=O)CCN4C5=CC=CC=C5C(=O)NC4=O)F

DOS

IR

Vibrations