Geometry & MOs

Info

ID:	84009
PubChem CID:	49863197
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	363.149538
ΔH_f, kcal/mol:	74.52
Dipole, Da:	3.7
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-9-methylpurin-6-amine

Drug info:

PubChemData

Smile

CN1C(=NC2=C(N=CN=C21)NCC3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations