Geometry & MOs

Info

ID:	128806
PubChem CID:	51058514
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	361.151682
ΔH_f, kcal/mol:	-170.6
Dipole, Da:	9.19
IP(EA), eV:	-9.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(hydroxymethyl)-7-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)O.O

DOS

IR

Vibrations