Geometry & MOs

Info

ID:	14419
PubChem CID:	410952
Reduced:	ClON7H8C11 (1)
Stoich.:	ABC7D8E11 (1)
Weight, g/mol:	289.047886
ΔH_f, kcal/mol:	120.46
Dipole, Da:	7.22
IP(EA), eV:	-9.34(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[(4-chlorophenyl)diazenyl]-3,5-dihydropurin-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=NC2=NC3C(=N2)NC(=NC3=O)N)Cl

DOS

IR

Vibrations