Geometry & MOs

Info

ID:	427049
PubChem CID:	135155248
Reduced:	BrN5C6H6 (1)
Stoich.:	AB5C6D6 (1)
Weight, g/mol:	226.98066
ΔH_f, kcal/mol:	116.58
Dipole, Da:	3.54
IP(EA), eV:	-10.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-azidoethyl)-5-bromopyrimidine

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=N1)Br)N=[N+]=[N-]

DOS

IR

Vibrations