Geometry & MOs

Info

ID:	310357
PubChem CID:	126579223
Reduced:	FN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	537.17166
ΔH_f, kcal/mol:	-121.73
Dipole, Da:	2.45
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-1-yl]piperidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC(=C1COC2=NN(C=C2)O)CF

DOS

IR

Vibrations