Geometry & MOs

Info

ID:	412958
PubChem CID:	135085895
Reduced:	SN2O4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	6.7
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-cyclohexyl-3-methylhept-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C(=O)OC

DOS

IR

Vibrations