Geometry & MOs

Info

ID:	49172
PubChem CID:	11528786
Reduced:	NOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	83.27
Dipole, Da:	3.5
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-1-pyridin-2-ylpent-3-yn-2-one

Drug info:

PubChemData

Smile

C#CCOCC1=CC=C2N1C3=CC=CC=C3C=C2

DOS

IR

Vibrations