Geometry & MOs

Info

ID:	7851
PubChem CID:	74343
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	135.068414
ΔH_f, kcal/mol:	-9.14
Dipole, Da:	2.76
IP(EA), eV:	-10.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=NC=C1

DOS

IR

Vibrations