Geometry & MOs

Info

ID:	307154
PubChem CID:	125275503
Reduced:	FO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	238.071542
ΔH_f, kcal/mol:	63.49
Dipole, Da:	10.69
IP(EA), eV:	-9.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,8,10-pentaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CN=C3C4=C(C=CC(=C4)F)N=C3C2=O

DOS

IR

Vibrations