Geometry & MOs

Info

ID:	416357
PubChem CID:	135089370
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	6.23
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3)O

DOS

IR

Vibrations