Geometry & MOs

Info

ID:	49608
PubChem CID:	11533355
Reduced:	O4N5H27C28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	497.217778
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	2.57
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]piperidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCCC3)NC4=CC=CC5=C4C=CC=N5

DOS

IR

Vibrations