Geometry & MOs

Info

ID:	417518
PubChem CID:	135098089
Reduced:	ClON3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	2.47
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(C4=CC=CC=C4N3)Cl)CO

DOS

IR

Vibrations