Geometry & MOs

Info

ID:	407648
PubChem CID:	135080398
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	5.05
IP(EA), eV:	-10.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradeca-6,8-diyne-2,13-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N=C(O1)C2=CC=CC=C2)CBr

DOS

IR

Vibrations