Geometry & MOs

Info

ID:	272293
PubChem CID:	103738000
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	3.08
IP(EA), eV:	-8.62(2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-nitrophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2CCCN(C2C1)CCCCCCO

DOS

IR

Vibrations