Geometry & MOs

Info

ID:	383327
PubChem CID:	134974992
Reduced:	C14H29 (2)
Stoich.:	A14B29 (2)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	0.05
IP(EA), eV:	-10.24(3.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]hept-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC(C)(CC)CCCC(C)(CCC)CCCCCCCC

DOS

IR

Vibrations