Geometry & MOs

Info

ID:	1381
PubChem CID:	4273
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	16.85
Dipole, Da:	3.27
IP(EA), eV:	-8.26(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,6-N-bis[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations