Geometry & MOs

Info

ID:	180664
PubChem CID:	76665669
Reduced:	ClNC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	419.268511
ΔH_f, kcal/mol:	20.85
Dipole, Da:	7.64
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpyridin-2-yl)-8-(4-piperidin-4-ylanilino)-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1C=CN(C)C)Cl)Cl

DOS

IR

Vibrations