Geometry & MOs

Info

ID:	276605
PubChem CID:	103824467
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	22.2
Dipole, Da:	0.7
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-hex-5-ynylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CNC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations