Geometry & MOs

Info

ID:	72331
PubChem CID:	48416054
Reduced:	O2F3N4C19H19 (1)
Stoich.:	A2B3C4D19E19 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-173.67
Dipole, Da:	2.89
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(N=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations