Geometry & MOs

Info

ID:	422042
PubChem CID:	135117072
Reduced:	SO5N6C30H40 (1)
Stoich.:	AB5C6D30E40 (1)
Weight, g/mol:	322.205656
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	7.69
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-(3-propoxypiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CC3=CSC(=N3)C)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations