Geometry & MOs

Info

ID:	6373
PubChem CID:	68329
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	4.05
IP(EA), eV:	-10.55(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations