Geometry & MOs

Info

ID:	179650
PubChem CID:	76517697
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	4.43
IP(EA), eV:	-8.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dihydroxy-4-[(4-methoxyphenyl)methoxy]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(=CC(=O)OC)COCC1=CC=C(C=C1)OC

DOS

IR

Vibrations