Geometry & MOs

Info

ID:	135773
PubChem CID:	51934510
Reduced:	Cl2N2O3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	386.116398
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143684
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)[NH+](C)CC(=O)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations