Geometry & MOs

Info

ID:	187119
PubChem CID:	77531692
Reduced:	F2O3N7C25H27 (1)
Stoich.:	A2B3C7D25E27 (1)
Weight, g/mol:	224.975306
ΔH_f, kcal/mol:	-91.84
Dipole, Da:	8.45
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3,5-tris(chloromethyl)pyrazin-1-ium

Drug info:

PubChemData

Smile

CC(CO)NCCCOC1=CC2=C(C=C1)C(=NC=N2)N(C3=C(C(=CC=C3)F)F)C4=CN(N=C4)CC(=O)N

DOS

IR

Vibrations