Geometry & MOs

Info

ID:	374361
PubChem CID:	131327429
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	283.97965
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	3.61
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-1,2-oxazol-3-ylidene)-5-bromo-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C(C2=C(O1)C=C(C=C2)CC#N)O

DOS

IR

Vibrations