Geometry & MOs

Info

ID:	4343
PubChem CID:	11251
Reduced:	OC5H10 (1)
Stoich.:	AB5C10 (1)
Weight, g/mol:	86.073165
ΔH_f, kcal/mol:	-62.55
Dipole, Da:	3.63
IP(EA), eV:	-9.93(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C

DOS

IR

Vibrations