Geometry & MOs

Info

ID:	374008
PubChem CID:	131322300
Reduced:	BrN4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	276.00106
ΔH_f, kcal/mol:	86.54
Dipole, Da:	6.19
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)triazol-4-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=C(N2)CN)C#N)Br

DOS

IR

Vibrations