Geometry & MOs

Info

ID:	373854
PubChem CID:	131320687
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	5.64
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-amino-2H-1,2-oxazol-5-ylidene)-2-(hydroxymethyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1C#N)OCOC2)N

DOS

IR

Vibrations