Geometry & MOs

Info

ID:	337067
PubChem CID:	127256632
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-164.8
Dipole, Da:	1.28
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-pyran-2-ylmethyl cyclohexa-1,3-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C)COC(=O)CCCCCC1C=CC=CO1

DOS

IR

Vibrations