Geometry & MOs

Info

ID:	266960
PubChem CID:	103580215
Reduced:	BrClN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	312.97299
ΔH_f, kcal/mol:	55.21
Dipole, Da:	2.54
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-bromo-3-chloropyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations