Geometry & MOs

Info

ID:	220281
PubChem CID:	85177234
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	242.090272
ΔH_f, kcal/mol:	112.28
Dipole, Da:	3.94
IP(EA), eV:	-8.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 6-O-methyl 4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=NN)C2=CC=CC=C2)C=NN

DOS

IR

Vibrations