Geometry & MOs

Info

ID:	274425
PubChem CID:	103809251
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	4.11
IP(EA), eV:	-8.75(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-ethyl-3-nitrophenyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NC2=CN(N=C2)CC(=O)NC3CC3

DOS

IR

Vibrations