Geometry & MOs

Info

ID:	314624
PubChem CID:	126622491
Reduced:	N2O4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	409.153875
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	4.4
IP(EA), eV:	-9.44(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine

Drug info:

PubChemData

Smile

CC(=O)C1=C2C=CC(=O)C=C2N(N1)CC(=O)O

DOS

IR

Vibrations