Geometry & MOs

Info

ID:	151399
PubChem CID:	53801194
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	447.154269
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	3.99
IP(EA), eV:	-10.22(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-2-(benzoyloxymethyl)-3-(7H-purin-8-yloxy)propyl] benzoate

Drug info:

PubChemData

Smile

CC1CCC([C@@H](C1)C(=O)N)C(C)C

DOS

IR

Vibrations