Geometry & MOs

Info

ID:	293308
PubChem CID:	117383931
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-153.26
Dipole, Da:	2.76
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)(CO)C1=C(C=CC2=C1OCCO2)COC

DOS

IR

Vibrations