Geometry & MOs

Info

ID:

321161

PubChem CID:

126665072

Reduced:

SN2C10H17 (1)

Stoich.:

AB2C10D17 (1)

Weight, g/mol:

250.19328

ΔHf, kcal/mol:

18.55

Dipole, Da:

4.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.975069

Charge, e:

 0

Chem-info

IUPAC name:

2-acetyl-2-cyclohexyl-3,3,4-trimethylcyclopentan-1-one

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CCCN)CCS

DOS

IR

Vibrations