Geometry & MOs

Info

ID:	445745
PubChem CID:	135269303
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	447.130946
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	6.16
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methyl-8-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methoxy]purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(N2CC4CC=CC=C4)C(=O)N(C(=O)N3C)CCCO

DOS

IR

Vibrations