Geometry & MOs

Info

ID:	415011
PubChem CID:	135087991
Reduced:	N2O3C23H34 (1)
Stoich.:	A2B3C23D34 (1)
Weight, g/mol:	321.098806
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	8.18
IP(EA), eV:	-8.26(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C)OCC(=C)C

DOS

IR

Vibrations