Geometry & MOs

Info

ID:	164932
PubChem CID:	74474312
Reduced:	O4N5C17H22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.833622
Charge, e:	0

Chem-info

IUPAC name:

8-(dimethylamino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CNC1=[N+](C2C(=N1)N(C(=O)N(C2=O)C)C)CC(COC3=CC=CC=C3)O

DOS

IR

Vibrations