Geometry & MOs

Info

ID:	293713
PubChem CID:	117397321
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	256.989113
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	1.18
IP(EA), eV:	-9.13(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN)C2=CC=CC(=C2)C3CCCC3

DOS

IR

Vibrations