Geometry & MOs

Info

ID:	180655
PubChem CID:	76665029
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	455.244501
ΔH_f, kcal/mol:	-73.87
Dipole, Da:	6.65
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2C3C(CCNC3=O)CC(N2)C4=CN=CC(=N4)OC)C(=O)NC

DOS

IR

Vibrations