Geometry & MOs

Info

ID:	418350
PubChem CID:	135104253
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	320.159689
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	5.19
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-amino-7H-purin-6-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N[C@@]3(CCOC4([C@H]3O)CCNCC4)C

DOS

IR

Vibrations