Geometry & MOs

Info

ID:	160744
PubChem CID:	57389647
Reduced:	ClON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	326.170253
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	4.5
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-diaminopentanoic acid;1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)C1CCC2=NC(=NC=C2C1)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations