Geometry & MOs

Info

ID:	160517
PubChem CID:	57309865
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	128.047344
ΔH_f, kcal/mol:	-151.53
Dipole, Da:	3.44
IP(EA), eV:	-9.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-oxopent-2-enoate

Drug info:

PubChemData

Smile

CCC(=CC=C)OC(=O)CC(=O)O

DOS

IR

Vibrations