Geometry & MOs

Info

ID:	172135
PubChem CID:	75471151
Reduced:	ClOSF3N3H11C17 (1)
Stoich.:	ABCD3E3F11G17 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	7.93
IP(EA), eV:	-8.9(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(methoxymethyl)phenyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C2=C(C=CC=N2)C(F)(F)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations