Geometry & MOs

Info

ID:	84008
PubChem CID:	49863187
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	6.03
IP(EA), eV:	-9.12(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-9-methyl-8-phenylpurin-6-amine

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NC(=O)CC3=NC4=CC=CC=C4C(=N3)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations