Geometry & MOs

Info

ID:	180666
PubChem CID:	76665671
Reduced:	SO4N6C24H32 (1)
Stoich.:	AB4C6D24E32 (1)
Weight, g/mol:	485.279075
ΔH_f, kcal/mol:	-109.11
Dipole, Da:	4.6
IP(EA), eV:	-7.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(1H-indol-5-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

C1CNC(=O)C2C1CC(NC2NC3=CC=C(C=C3)N4CCOCC4)NC5=CC(=CC=C5)S(=O)(=O)N

DOS

IR

Vibrations