Geometry & MOs

Info

ID:	397462
PubChem CID:	135030247
Reduced:	ON3F6H13C22 (1)
Stoich.:	AB3C6D13E22 (1)
Weight, g/mol:	349.102668
ΔH_f, kcal/mol:	-199.29
Dipole, Da:	5.27
IP(EA), eV:	-9.51(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-9-[(3-fluorophenyl)methyl]-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

C1C2=C(ON=C2C3=NC=C(N31)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations