Geometry & MOs

Info

ID:	142617
PubChem CID:	53067876
Reduced:	FON5H16C21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	373.133888
ΔH_f, kcal/mol:	53.15
Dipole, Da:	4.89
IP(EA), eV:	-9.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(5-methylpyridin-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=NN(C(=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations