Geometry & MOs

Info

ID:	223695
PubChem CID:	85335432
Reduced:	NO2C15H20 (2)
Stoich.:	AB2C15D20 (2)
Weight, g/mol:	492.158263
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	2.21
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]methyl]morpholin-4-yl]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)NC(C)C1=CC=CC=C1)NC(=O)OCC2(CCC2)CCCC3=CC=CC=C3

DOS

IR

Vibrations