Geometry & MOs

Info

ID:	423530
PubChem CID:	135119677
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	5.17
IP(EA), eV:	-8.95(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(3-pyridin-4-ylpropanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4[C@@H]5[C@H]4[C@H]6CC[C@@H]5C6)OCC2

DOS

IR

Vibrations