Geometry & MOs

Info

ID:	337818
PubChem CID:	127258441
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	2.71
IP(EA), eV:	-9.36(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-2-(hydroxymethyl)propyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)O/C(=C/CC=C)/C(C)(C)C

DOS

IR

Vibrations