Geometry & MOs

Info

ID:	443450
PubChem CID:	135259074
Reduced:	SO4N5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	5.33
IP(EA), eV:	-9.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-(methylamino)-7H-purine-8-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C(=C(SC5=NC=N4)C(=O)O)C)CCCCC3

DOS

IR

Vibrations