Geometry & MOs

Info

ID:	190483
PubChem CID:	78010817
Reduced:	N3O8C32H43 (1)
Stoich.:	A3B8C32D43 (1)
Weight, g/mol:	343.028
ΔH_f, kcal/mol:	-294.0
Dipole, Da:	10.86
IP(EA), eV:	-8.38(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(aminomethyl)-8-bromopurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCCN(CCCCN)C(=O)CN1CC(C(C1CCC2=C3C(=CC=C2)OCO3)C(=O)O)C4=CC(=C5C(=C4)OCO5)CO

DOS

IR

Vibrations