Geometry & MOs

Info

ID:	292520
PubChem CID:	115354140
Reduced:	BrClN4H8C15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	357.96209
ΔH_f, kcal/mol:	127.47
Dipole, Da:	3.19
IP(EA), eV:	-9.41(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromonaphthalen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1C3=NN=C4N3C=NC(=C4)Cl

DOS

IR

Vibrations