Geometry & MOs

Info

ID:	372596
PubChem CID:	131300468
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	4.33
IP(EA), eV:	-8.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CC(OC2=C1)C#N)N

DOS

IR

Vibrations