Geometry & MOs

Info

ID:	412043
PubChem CID:	135084906
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	40.85
Dipole, Da:	2.13
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N,6-N,6-N,9-pentamethylpurine-2,6-diamine

Drug info:

PubChemData

Smile

C1CC1C#CC2=CC=CC=C2CO

DOS

IR

Vibrations