Geometry & MOs

Info

ID:	337064
PubChem CID:	127256629
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	3.88
IP(EA), eV:	-9.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxocyclohexa-1,5-dien-1-yl)ethyl 2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

C1=C[C@H](OC=C1)C(=O)OCCCC=O

DOS

IR

Vibrations