Geometry & MOs

Info

ID:	178827
PubChem CID:	76386226
Reduced:	FN3O10C41H60 (1)
Stoich.:	AB3C10D41E60 (1)
Weight, g/mol:	310.138953
ΔH_f, kcal/mol:	-329.81
Dipole, Da:	7.02
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[3-(dimethylamino)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCCNC(=NCCOC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)NC9=CC(=CC=C9)F)C

DOS

IR

Vibrations