Geometry & MOs

Info

ID:	10257
PubChem CID:	99545
Reduced:	N6H10C11 (1)
Stoich.:	A6B10C11 (1)
Weight, g/mol:	226.096694
ΔH_f, kcal/mol:	96.89
Dipole, Da:	5.55
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-7H-purine-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=NC(=NC(=C3N2)N)N

DOS

IR

Vibrations