Geometry & MOs

Info

ID:

407796

PubChem CID:

135080551

Reduced:

N2C11H16 (1)

Stoich.:

A2B11C16 (1)

Weight, g/mol:

223.157229

ΔHf, kcal/mol:

52.02

Dipole, Da:

1.92

IP(EA), eV:

-9.07(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(E)-N-cyclohexyl-6-oxohept-2-enamide

Drug info:

PubChemData

Smile

CC/C=C(\CC)/C=C\N1C=CC=N1

DOS

IR

Vibrations