Geometry & MOs

Info

ID:	28740
PubChem CID:	829266
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	3.7
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-hydroxy-1,3-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations