Geometry & MOs

Info

ID:	146501
PubChem CID:	53698914
Reduced:	ClOSN4C17H19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	367.263506
ΔH_f, kcal/mol:	19.57
Dipole, Da:	1.99
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-[2-(diethylamino)ethoxy]-1-[3-(4-fluorophenoxy)propyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NC(=NC=C1Cl)NC(C)C2=CC3=C(C=C2)OCC(=N3)SC

DOS

IR

Vibrations