Geometry & MOs

Info

ID:	45392
PubChem CID:	10512668
Reduced:	NO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	4.4
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methoxy-2-methylfuro[3,4-d][1,3]oxazole-6-carboxylate

Drug info:

PubChemData

Smile

COCC1=CC2=C(C=C1[N+](=O)[O-])OCO2

DOS

IR

Vibrations