Geometry & MOs

Info

ID:	314588
PubChem CID:	126622338
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	441.160103
ΔH_f, kcal/mol:	34.24
Dipole, Da:	5.15
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-6-methylpyridin-2-yl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=CC=C2N=C1N)CCCC#N

DOS

IR

Vibrations