Geometry & MOs

Info

ID:	22971
PubChem CID:	600397
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	3.28
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(furan-2-ylmethylidene)-2,3-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1(C(CCC(=CC2=CC=CO2)C1=O)C)C

DOS

IR

Vibrations