Geometry & MOs

Info

ID:	292524
PubChem CID:	115354154
Reduced:	Br2N3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	273.97418
ΔH_f, kcal/mol:	112.97
Dipole, Da:	5.12
IP(EA), eV:	-9.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-cyanonaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1C3=NC4=C(N3)C=C(C=N4)Br

DOS

IR

Vibrations