Geometry & MOs

Info

ID:	180993
PubChem CID:	76713805
Reduced:	NO2C12H19 (2)
Stoich.:	AB2C12D19 (2)
Weight, g/mol:	538.333749
ΔH_f, kcal/mol:	-215.38
Dipole, Da:	3.56
IP(EA), eV:	-9.51(-0.02)
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-(cyclohexylmethyl)-4-(methylamino)pentan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)CC(CN(C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations