Geometry & MOs

Info

ID:	14188
PubChem CID:	406272
Reduced:	FN2O2H17C24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	384.127406
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	4.98
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-4-oxo-10-oxa-3-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),12,14,16,18-hexaene-5-carbonitrile

Drug info:

PubChemData

Smile

C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(C(C(=O)N4)C#N)C5=CC=C(C=C5)F

DOS

IR

Vibrations