Geometry & MOs

Info

ID:	418657
PubChem CID:	135106508
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	303.108228
ΔH_f, kcal/mol:	47.8
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NC=N2)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations