Geometry & MOs

Info

ID:	396764
PubChem CID:	135029164
Reduced:	ClON2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	22.49
Dipole, Da:	4.69
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-2,5-dihydro-1H-pyridin-6-yl)ethanone

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=NC4=C(C=C(C=C4)Cl)C(=O)N31

DOS

IR

Vibrations