Geometry & MOs

Info

ID:	315157
PubChem CID:	126624669
Reduced:	NO4H17C22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	2.4
IP(EA), eV:	-8.39(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(5-ethyl-1,2-dihydropyrazol-3-ylidene)-3-fluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C=C/C=C\C=C(/C=C)\OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

DOS

IR

Vibrations