Geometry & MOs

Info

ID:	337898
PubChem CID:	127258521
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	1.9
IP(EA), eV:	-10.61(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)pentan-2-yl butanoate

Drug info:

PubChemData

Smile

CCCCC(CC)(CC)COC(=O)CCC

DOS

IR

Vibrations