Geometry & MOs

Info

ID:	245122
PubChem CID:	99437607
Reduced:	FN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	364.094724
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	2.28
IP(EA), eV:	-8.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC=C(C=C3)F)OC

DOS

IR

Vibrations