Geometry & MOs

Info

ID:	289557
PubChem CID:	104359488
Reduced:	BrClN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	342.02469
ΔH_f, kcal/mol:	54.93
Dipole, Da:	6.25
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CN

DOS

IR

Vibrations