Geometry & MOs

Info

ID:	218361
PubChem CID:	85089228
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	452.196074
ΔH_f, kcal/mol:	-204.73
Dipole, Da:	6.16
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminoimidazo[4,5-d]triazin-7-yl)-3-trityloxypropan-2-ol

Drug info:

PubChemData

Smile

CC1C2C(CC3C4=C(CC(N3C2=O)C(=O)OC(=O)OCC(C)C)C5=CC=CC=C5N4)C=CO1

DOS

IR

Vibrations