Geometry & MOs

Info

ID:	66174
PubChem CID:	46500377
Reduced:	N2F3O3C21H27 (1)
Stoich.:	A2B3C3D21E27 (1)
Weight, g/mol:	382.095198
ΔH_f, kcal/mol:	-268.44
Dipole, Da:	5.47
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[difluoro(trifluoromethoxy)methyl]-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1CCCC2C1=NN(C2(C(F)(F)F)O)C(=O)COC3=C(C=CC(=C3)C)C(C)C

DOS

IR

Vibrations