Geometry & MOs

Info

ID:	415815
PubChem CID:	135088816
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	365.169919
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	0.73
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(3,7-dimethyl-2,6-dioxopurin-8-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@@H]1C2N)C3=NOC(=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations