Geometry & MOs

Info

ID:	244214
PubChem CID:	99319435
Reduced:	Cl2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	352.15537
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	3.03
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[4-(2-chlorophenoxy)butanoyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2CCN(CC2)C(=O)[C@@H](C(C)C)NC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations