Geometry & MOs

Info

ID:	22324
PubChem CID:	596695
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-168.59
Dipole, Da:	2.7
IP(EA), eV:	-9.26(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-methyl-1-(2-methylpropanoyl)cyclohex-3-en-1-yl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1(CCC(=CC1)C)C(=O)C(C)C

DOS

IR

Vibrations