Geometry & MOs

Info

ID:	396670
PubChem CID:	135029008
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	450.167853
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	3.73
IP(EA), eV:	-9.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-(3,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-4-carboxylate

Drug info:

PubChemData

Smile

C1C(C2(CN1C(=O)OCC3=CC=CC=C3)COC2)C=O

DOS

IR

Vibrations