Geometry & MOs

Info

ID:	423237
PubChem CID:	135119155
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	4.81
IP(EA), eV:	-8.55(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC(C3)CC(=O)NC

DOS

IR

Vibrations