Geometry & MOs

Info

ID:	169193
PubChem CID:	75073631
Reduced:	OC2H2 (5)
Stoich.:	AB2C2 (5)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	4.16
IP(EA), eV:	-9.62(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=O)C(=CO1)O

DOS

IR

Vibrations