Geometry & MOs

Info

ID:	37675
PubChem CID:	8023032
Reduced:	BrO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	358.105253
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	3.39
IP(EA), eV:	-9.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3[C@H]([C@H]3C(=O)C4=CC=C(C=C4)Br)C(=O)[C@H](O1)O2

DOS

IR

Vibrations