Geometry & MOs

Info

ID:	150227
PubChem CID:	53789914
Reduced:	NOC20H44 (1)
Stoich.:	ABC20D44 (1)
Weight, g/mol:	270.079313
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753909
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-2-[5-(4-ethynylpyridin-2-yl)furan-2-yl]pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOCCC[N+](C)(C)C

DOS

IR

Vibrations