Geometry & MOs

Info

ID:

172216

PubChem CID:

75481004

Reduced:

N2O3C11H11 (1)

Stoich.:

A2B3C11D11 (1)

Weight, g/mol:

256.215078

ΔHf, kcal/mol:

-34.2

Dipole, Da:

4.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.846922

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-(5-ethylpiperidin-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+]2=CC(=O)ON2)C(=O)C

DOS

IR

Vibrations