Geometry & MOs

Info

ID:	26208
PubChem CID:	641097
Reduced:	NH11C13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	299.142248
ΔH_f, kcal/mol:	70.22
Dipole, Da:	2.5
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-pyridin-2-yl-2-(pyridin-2-ylmethyl)but-3-yn-2-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CN=CC=C2

DOS

IR

Vibrations