Geometry & MOs

Info

ID:	187418
PubChem CID:	77571697
Reduced:	N4O6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	398.177249
ΔH_f, kcal/mol:	-204.55
Dipole, Da:	15.97
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2-chloro-4-fluorophenoxy)-3-hydroxypiperidin-1-yl]ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=C(C=C2)NC=C3)CCC4CN(C5=CC=CC=C45)C(=O)C(=O)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations