Geometry & MOs

Info

ID:	294492
PubChem CID:	117464119
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	286.999678
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	5.13
IP(EA), eV:	-8.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C1=O)C2=CC=CC=C2C3(CCCCC3)CN

DOS

IR

Vibrations