Geometry & MOs

Info

ID:	29985
PubChem CID:	838742
Reduced:	FOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	346.063968
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	6.61
IP(EA), eV:	-9.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations