Geometry & MOs

Info

ID:	338048
PubChem CID:	127258679
Reduced:	ClO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	3.23
IP(EA), eV:	-10.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl 3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(CC(=O)OCC(C)O)Cl

DOS

IR

Vibrations