Geometry & MOs

Info

ID:	125019
PubChem CID:	50907430
Reduced:	ClO2N5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	370.130887
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	2.76
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-11H-purino[8,9-b]quinazolin-6-yl)ethyl]morpholine

Drug info:

PubChemData

Smile

C1CC(COC1)CNC2=NC(=CN=C2)C3=CC(=NC=C3Cl)NC4CCC(CC4)O

DOS

IR

Vibrations