Geometry & MOs

Info

ID:	16080
PubChem CID:	459197
Reduced:	AsO2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	291.994145
ΔH_f, kcal/mol:	90.4
Dipole, Da:	2.89
IP(EA), eV:	-8.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminopyrimidin-4-yl)amino]-4-arsorosophenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[As]=O)NC2=NC(=NC=C2)N)O

DOS

IR

Vibrations