Geometry & MOs

Info

ID:	221380
PubChem CID:	85272332
Reduced:	OC3H6 (4)
Stoich.:	AB3C6 (4)
Weight, g/mol:	232.167459
ΔH_f, kcal/mol:	-212.29
Dipole, Da:	5.53
IP(EA), eV:	-9.46(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4-(1-hydroxyethyl)-2-methyloctanoate

Drug info:

PubChemData

Smile

CCCCOC1C(OC(CC1(C)OC)O)C

DOS

IR

Vibrations