Geometry & MOs

Info

ID:	445629
PubChem CID:	135268653
Reduced:	FO4N5H26C28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	469.202637
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	3.76
IP(EA), eV:	-8.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-fluoro-4-methyl-5-[(7-methylpurin-6-yl)methyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(NC=N1)C(C#C)(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)OC)O

DOS

IR

Vibrations