Geometry & MOs

Info

ID:	10714
PubChem CID:	107066
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	1.75
IP(EA), eV:	-10.7(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-trimethylhexyl propanoate

Drug info:

PubChemData

Smile

CCC(=O)OCCC(C)CC(C)(C)C

DOS

IR

Vibrations