Geometry & MOs

Info

ID:	445650
PubChem CID:	135268761
Reduced:	ClFN3O4C26H27 (1)
Stoich.:	ABC3D4E26F27 (1)
Weight, g/mol:	467.206973
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-methoxy-3-[(9-methylpurin-6-yl)methyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C2=C(CC(C(=N2)OC3=CC=CC=C3F)CC4=CC=C(C=C4)Cl)C5C(O5)N(C1=O)CCCO

DOS

IR

Vibrations