Geometry & MOs

Info

ID:	337061
PubChem CID:	127256626
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-164.04
Dipole, Da:	1.79
IP(EA), eV:	-8.71(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-1,5-dien-1-ylmethyl 2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(CCC)COC(=O)CCCC1C=CC=CO1

DOS

IR

Vibrations