Geometry & MOs

Info

ID:	374362
PubChem CID:	131327436
Reduced:	BrN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	283.97965
ΔH_f, kcal/mol:	-15.61
Dipole, Da:	7.83
IP(EA), eV:	-8.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1,2-oxazol-3-ylidene)-4-bromo-3-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C2C=C(ON2)N)C(=CC1=O)Br

DOS

IR

Vibrations