Geometry & MOs

Info

ID:	5429
PubChem CID:	13143
Reduced:	OC5H8 (1)
Stoich.:	AB5C8 (1)
Weight, g/mol:	84.057515
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	3.02
IP(EA), eV:	-10.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)C

DOS

IR

Vibrations