Geometry & MOs

Info

ID:	220895
PubChem CID:	85240280
Reduced:	NO4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	284.077262
ΔH_f, kcal/mol:	-207.79
Dipole, Da:	3.55
IP(EA), eV:	-8.76(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetylphenyl)methyl]-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

CC1C(CCC2N1C(CCC2)CC(=O)OC)OC(=O)C

DOS

IR

Vibrations