Geometry & MOs

Info

ID:	180828
PubChem CID:	76691676
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	4.4
IP(EA), eV:	-8.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-[(4-methylpyridin-2-yl)amino]-8aH-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=C3C(=C2)C=CN(C3=O)CCN4CCOCC4)NC(C)CO

DOS

IR

Vibrations