Geometry & MOs

Info

ID:	343368
PubChem CID:	127266541
Reduced:	N4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	220.064806
ΔH_f, kcal/mol:	74.27
Dipole, Da:	5.8
IP(EA), eV:	-8.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-ylidene)-2-fluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)N(C)C1=NC=C(C=C1)C=CC2=NC=NC=C2

DOS

IR

Vibrations