Geometry & MOs

Info

ID:	415812
PubChem CID:	135088813
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	8.15
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-[(6-methylquinolin-5-yl)methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCNC(=O)CN(C)CC2=CN=CC=C2)C

DOS

IR

Vibrations