Geometry & MOs

Info

ID:	422768
PubChem CID:	135118374
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	4.24
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(4-oxo-1H-pyrimidin-6-yl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)N2CC(C2)C(=O)O

DOS

IR

Vibrations