Geometry & MOs

Info

ID:	337108
PubChem CID:	127256673
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	2.24
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-pyran-4-yl (E)-4-cyclohexa-1,5-dien-1-ylbut-3-enoate

Drug info:

PubChemData

Smile

C1C=C(C=CO1)C(=O)OCCO

DOS

IR

Vibrations