Geometry & MOs

Info

ID:	217862
PubChem CID:	85088502
Reduced:	BrClNC21H25 (1)
Stoich.:	ABCD21E25 (1)
Weight, g/mol:	411.13077
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	2.85
IP(EA), eV:	-8.21(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[2-[(5-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxy]ethoxymethyl]-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CCN1CCC2C(C1)C3=C(C2C4=CC=C(C=C4)Br)C=C(C=C3)C.Cl

DOS

IR

Vibrations