Geometry & MOs

Info

ID:	421183
PubChem CID:	135115521
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	3.63
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=C(C=C4C=CC(=CC4=N3)C)CO)O

DOS

IR

Vibrations