Geometry & MOs

Info

ID:	154404
PubChem CID:	56313831
Reduced:	FN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	402.107038
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	4.56
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations