Geometry & MOs

Info

ID:	337917
PubChem CID:	127258540
Reduced:	O2C23H42 (1)
Stoich.:	A2B23C42 (1)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-150.24
Dipole, Da:	2.03
IP(EA), eV:	-9.38(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dihydroxy-2-methylpropyl) butanoate

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCC(C)COC(=O)CCC

DOS

IR

Vibrations