Geometry & MOs

Info

ID:	29176
PubChem CID:	832158
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	328.139862
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	3.93
IP(EA), eV:	-8.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/2\C(=O)NN(C2=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations