Geometry & MOs

Info

ID:	289554
PubChem CID:	104359484
Reduced:	BrClSN2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	342.02469
ΔH_f, kcal/mol:	57.41
Dipole, Da:	3.87
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=CSC(=N2)N

DOS

IR

Vibrations