Geometry & MOs

Info

ID:	310459
PubChem CID:	126580547
Reduced:	O2N10C23H34 (1)
Stoich.:	A2B10C23D34 (1)
Weight, g/mol:	514.25532
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	4.44
IP(EA), eV:	-8.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E)-4-[4-[[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]ethylamino]methyl]phenyl]buta-1,3-dien-2-yl]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N=C1NCCCCCC(=O)NC)C3=CN=C(N=C3)N)N4CCOCC4

DOS

IR

Vibrations