Geometry & MOs

Info

ID:	397931
PubChem CID:	135031041
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	269.067952
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	5.32
IP(EA), eV:	-9.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxypurin-9-yl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)C4C=CC(=O)O4

DOS

IR

Vibrations