Geometry & MOs

Info

ID:	292522
PubChem CID:	115354146
Reduced:	BrClNH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	304.96223
ΔH_f, kcal/mol:	60.72
Dipole, Da:	3.39
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromonaphthalen-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCC/C(=C(\C1=CC2=C(C=C1)C=C(C=C2)Br)/Cl)/C#N

DOS

IR

Vibrations