Geometry & MOs

Info

ID:	416397
PubChem CID:	135089410
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	339.123736
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	9.35
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(3-chloro-4-methylbenzoyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)OC)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations