Geometry & MOs

Info

ID:	68966
PubChem CID:	46513936
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	373.140197
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	3.14
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC3=C(N=C2)N(N=C3C)C

DOS

IR

Vibrations