Geometry & MOs

Info

ID:	145199
PubChem CID:	53477076
Reduced:	N2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	494.219015
ΔH_f, kcal/mol:	173.51
Dipole, Da:	8.27
IP(EA), eV:	-7.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-fluoro-2-[[6-(4-methoxypiperidin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NNC3=C4C=CC=CC4=NC5=C(N32)C=CC=N5

DOS

IR

Vibrations