Geometry & MOs

Info

ID:	284286
PubChem CID:	104040008
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	4.83
IP(EA), eV:	-8.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-propan-2-ylpiperidin-1-yl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCSC)N(C)CC(=O)N1CCC(CC1)C(=O)O

DOS

IR

Vibrations