Geometry & MOs

Info

ID:	125983
PubChem CID:	50946665
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	4.76
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-amino-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations