Geometry & MOs

Info

ID:	200487
PubChem CID:	79396513
Reduced:	NCl2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	3.86
IP(EA), eV:	-10.02(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylcyclohexyl)-2,3-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)COC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations