Geometry & MOs

Info

ID:	308867
PubChem CID:	126531683
Reduced:	N6C12H13 (2)
Stoich.:	A6B12C13 (2)
Weight, g/mol:	451.157516
ΔH_f, kcal/mol:	238.11
Dipole, Da:	9.61
IP(EA), eV:	-8.13(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[7-chloro-3-fluoro-6-methyl-8-(1-phenylethylamino)-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=N6)N7CC(C7)N)NN4)/N=C32

DOS

IR

Vibrations