Geometry & MOs

Info

ID:	19577
PubChem CID:	568048
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	2.14
IP(EA), eV:	-10.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutyl)oxolane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CCC1C(=O)COC1=O

DOS

IR

Vibrations