Geometry & MOs

Info

ID:	180653
PubChem CID:	76664787
Reduced:	N2O2C7H14 (1)
Stoich.:	A2B2C7D14 (1)
Weight, g/mol:	493.30529
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	4.31
IP(EA), eV:	-9.59(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(OCC1=O)CCN

DOS

IR

Vibrations