Geometry & MOs

Info

ID:	82458
PubChem CID:	49856055
Reduced:	O6C23H32 (1)
Stoich.:	A6B23C32 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-277.56
Dipole, Da:	5.97
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 3-O-propan-2-yl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(C(=O)OC2CCCCC2)C(=O)OC3CCCCC3)O

DOS

IR

Vibrations