Geometry & MOs

Info

ID:	180662
PubChem CID:	76665667
Reduced:	ON7H17C21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	122.9
Dipole, Da:	6.18
IP(EA), eV:	-8.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(2-hydroxypropan-2-yl)phenyl]-8-(4-morpholin-4-ylanilino)-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)C2=CC3=CC=NC(=O)C3C(=N2)NC4=CC5=C(C=C4)C=NN5

DOS

IR

Vibrations