Geometry & MOs

Info

ID:	403992
PubChem CID:	135064097
Reduced:	N5H15C16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	145.54
Dipole, Da:	3.56
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CN1C(C(C=N1)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4

DOS

IR

Vibrations