Geometry & MOs

Info

ID:	263792
PubChem CID:	103398843
Reduced:	Br2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	59.7
Dipole, Da:	6.29
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)CNC2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations