Geometry & MOs

Info

ID:	12759
PubChem CID:	145035
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	2.14
IP(EA), eV:	-10.72(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylhexan-3-yl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations