Geometry & MOs

Info

ID:	45814
PubChem CID:	10517829
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	4.95
Dipole, Da:	6.68
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-phenyl-6-piperidin-1-yl-7H-purine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)NC=C2CC(=O)NC3=CC=NC=C3

DOS

IR

Vibrations