Geometry & MOs

Info

ID:	294549
PubChem CID:	117469749
Reduced:	ClO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	289.95025
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	4.84
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=C(C=CC3=C2C=CC(=C3)Cl)O

DOS

IR

Vibrations