Geometry & MOs

Info

ID:	234309
PubChem CID:	92298145
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	328.094688
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	2.42
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-(1,3-benzodioxol-5-yl)oxiran-2-yl]-(3,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C(/C#N)\C(=O)OC)OC

DOS

IR

Vibrations