Geometry & MOs

Info

ID:	180867
PubChem CID:	76697400
Reduced:	NO2F9H24C26 (1)
Stoich.:	AB2C9D24E26 (1)
Weight, g/mol:	553.166332
ΔH_f, kcal/mol:	-530.41
Dipole, Da:	2.37
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C=C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)C(C)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations