Geometry & MOs

Info

ID:	319890
PubChem CID:	126657477
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	13.06
Dipole, Da:	2.92
IP(EA), eV:	-9.39(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9-dimethyl-6-[3-methyl-4-(2-piperidin-4-ylethoxy)phenyl]purine-2-carbonitrile

Drug info:

PubChemData

Smile

C=C[C@H]([C@H](CCC1=CC=CC=C1)OCC2=CC=CC=C2)N

DOS

IR

Vibrations