Geometry & MOs

Info

ID:	234307
PubChem CID:	92298143
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	353.111067
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	7.06
IP(EA), eV:	-9.59(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4R,5S)-3-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

COCCOC(=O)/C(=C\NC1=NC=C(C=C1)Cl)/C#N

DOS

IR

Vibrations