Geometry & MOs

Info

ID:	396662
PubChem CID:	135028998
Reduced:	O2H6C9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	279.053158
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	4.2
IP(EA), eV:	-9.97(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-4-phenylbut-3-yne-1,2-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)C(=O)C#CC2=CC=CC=C2

DOS

IR

Vibrations