Geometry & MOs

Info

ID:	417180
PubChem CID:	135091582
Reduced:	SO2N5C26H29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	309.168856
ΔH_f, kcal/mol:	4.38
Dipole, Da:	5.92
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=CC=C4N(C)C(=O)C5=CC=CS5

DOS

IR

Vibrations