Geometry & MOs

Info

ID:	2406
PubChem CID:	7336
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	1.94
IP(EA), eV:	-9.41(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CC(CC=C1C)C(=C)C

DOS

IR

Vibrations