Geometry & MOs

Info

ID:	292519
PubChem CID:	115354134
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	357.96209
ΔH_f, kcal/mol:	73.66
Dipole, Da:	5.5
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromonaphthalen-2-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations