Geometry & MOs

Info

ID:	417971
PubChem CID:	135103190
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	348.104084
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	5.24
IP(EA), eV:	-8.64(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluoro-3-methylphenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCCN2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations