Geometry & MOs

Info

ID:	294826
PubChem CID:	117498710
Reduced:	FO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	312.95858
ΔH_f, kcal/mol:	-26.23
Dipole, Da:	4.4
IP(EA), eV:	-8.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(4-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OCC2=CC=CC=C2)F)C3=C(NN=C3)N

DOS

IR

Vibrations