Geometry & MOs

Info

ID:	423468
PubChem CID:	135119554
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	280.077869
ΔH_f, kcal/mol:	-192.41
Dipole, Da:	3.17
IP(EA), eV:	-9.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(=O)N1CC[C@]([C@H](C1)O)(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations