Geometry & MOs

Info

ID:	29162
PubChem CID:	832080
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	41.11
Dipole, Da:	3.32
IP(EA), eV:	-8.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations