Geometry & MOs

Info

ID:	421626
PubChem CID:	135116315
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	332.134777
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	5.9
IP(EA), eV:	-8.57(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-[6-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C)OC

DOS

IR

Vibrations