Geometry & MOs

Info

ID:	82136
PubChem CID:	49855670
Reduced:	O6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-236.77
Dipole, Da:	1.05
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations