Geometry & MOs

Info

ID:	310457
PubChem CID:	126580525
Reduced:	O3N7C21H27 (1)
Stoich.:	A3B7C21D27 (1)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	3.7
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CNC(=O)CCCCN1C=NC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(C=C4)OC

DOS

IR

Vibrations