Geometry & MOs

Info

ID:	128677
PubChem CID:	51053872
Reduced:	FSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	379.124466
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	6.49
IP(EA), eV:	-8.32(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-N-(3-methylpyridin-2-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C(CC(=O)N2)C3=C(C(=CC=C3)OC)OCC4=CC=CC=C4F

DOS

IR

Vibrations