Geometry & MOs

Info

ID:	310463
PubChem CID:	126580588
Reduced:	ClO2N7C24H30 (1)
Stoich.:	AB2C7D24E30 (1)
Weight, g/mol:	456.228517
ΔH_f, kcal/mol:	8.15
Dipole, Da:	1.83
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)Cl)CN(C)CC4=CC=C(C=C4)/C=C/C(=O)NC

DOS

IR

Vibrations