Geometry & MOs

Info

ID:	399882
PubChem CID:	135043444
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	224.047344
ΔH_f, kcal/mol:	36.82
Dipole, Da:	6.67
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=C(O2)N)C#N)C(C#N)C(=O)NN

DOS

IR

Vibrations