Geometry & MOs

Info

ID:	53513
PubChem CID:	14716420
Reduced:	O2H3N3C10 (1)
Stoich.:	A2B3C3D10 (1)
Weight, g/mol:	250.03571
ΔH_f, kcal/mol:	38.36
Dipole, Da:	3.67
IP(EA), eV:	-10.29(-2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethynyl)-4-pentylbenzene

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=O)C(=O)N2)C#N)C#N

DOS

IR

Vibrations