Geometry & MOs

Info

ID:	397467
PubChem CID:	135030252
Reduced:	ON3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	377.133969
ΔH_f, kcal/mol:	74.05
Dipole, Da:	7.7
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C2N1CC3=CON=C32

DOS

IR

Vibrations