Geometry & MOs

Info

ID:	438721
PubChem CID:	135228473
Reduced:	O4H13C14 (2)
Stoich.:	A4B13C14 (2)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-248.94
Dipole, Da:	1.49
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C3(C[C@@H](C([C@@]3(O2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)OC)O

DOS

IR

Vibrations