Geometry & MOs

Info

ID:	189402
PubChem CID:	77849896
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	317.099413
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	5.42
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2,6-difluorophenyl)-1-(4-hydroxy-3,4-dimethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)C2CCCN(C2)C(=O)C3=C(N=C4N3C=CC=N4)C

DOS

IR

Vibrations