Geometry & MOs

Info

ID:	339267
PubChem CID:	127260646
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	3.29
IP(EA), eV:	-9.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CC2CC1C2(C)C)/C=C/3\CCCCC3=O

DOS

IR

Vibrations