Geometry & MOs

Info

ID:	396704
PubChem CID:	135029053
Reduced:	N2C33H34 (1)
Stoich.:	A2B33C34 (1)
Weight, g/mol:	274.062994
ΔH_f, kcal/mol:	75.38
Dipole, Da:	4.83
IP(EA), eV:	-8.03(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-4-phenylbut-3-yne-1,2-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=C(C3=CC=CC=C32)C(C4=CC=CC=C4)C5=CN(C6=CC=CC=C65)C7CCCC7

DOS

IR

Vibrations