Geometry & MOs

Info

ID:

311410

PubChem CID:

126591632

Reduced:

NH47C62 (1)

Stoich.:

AB47C62 (1)

Weight, g/mol:

448.197137

ΔHf, kcal/mol:

265.88

Dipole, Da:

2.85

IP(EA), eV:

 -7.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-(6-aminopyridin-3-yl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-(hydroxyamino)methanol

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)[C@]1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=C1C=C(C=C5)N(C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=CC=C8C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations