Geometry & MOs

Info

ID:	192726
PubChem CID:	78304732
Reduced:	O2N7C23H25 (1)
Stoich.:	A2B7C23D25 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	31.49
Dipole, Da:	5.78
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-hydroxyethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations