Geometry & MOs

Info

ID:	180986
PubChem CID:	76713707
Reduced:	NO2C14H24 (2)
Stoich.:	AB2C14D24 (2)
Weight, g/mol:	560.299255
ΔH_f, kcal/mol:	-211.28
Dipole, Da:	1.99
IP(EA), eV:	-8.91(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-3-[(4,4-difluorocyclohexyl)methyl]-4-(methylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC=CC=C2OCC(C)(C)C)O)CNC

DOS

IR

Vibrations