Geometry & MOs

Info

ID:	142619
PubChem CID:	53067878
Reduced:	FON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	392.084017
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	3.87
IP(EA), eV:	-9.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=NN(C(=C1)C2=CC=NC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations