Geometry & MOs

Info

ID:	299736
PubChem CID:	117689008
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	459.176976
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	4.13
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-phenoxyphenoxy)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)/C=C/C1=CC(=CC(=C1O)C/C=C(/CCC=C(C)C)\CO)C(=O)O

DOS

IR

Vibrations