Geometry & MOs

Info

ID:	35378
PubChem CID:	7979785
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	356.077514
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	5.72
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-chloro-2-nitrophenoxy)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations