Geometry & MOs

Info

ID:	220415
PubChem CID:	85189516
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	369.164833
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	2.84
IP(EA), eV:	-8.62(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-[tert-butyl(hydroxy)amino]-6-methoxypurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC(=O)C1CC(N(N1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations