Geometry & MOs

Info

ID:	61512
PubChem CID:	26710105
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	5.6
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations