Geometry & MOs

Info

ID:	445610
PubChem CID:	135268515
Reduced:	FOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	446.186652
ΔH_f, kcal/mol:	26.65
Dipole, Da:	3.81
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]-4-methylphenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=CC(=CC(=C4)CC5=NC=CS5)F

DOS

IR

Vibrations