Geometry & MOs

Info

ID:	339270
PubChem CID:	127260649
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	1.32
IP(EA), eV:	-7.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4,6-dimethylcyclohex-3-en-1-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCN\1C2=CC=CC=C2S/C1=C\C=C/3\CCCCC3=O

DOS

IR

Vibrations