Geometry & MOs

Info

ID:	171842
PubChem CID:	75432913
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	319.130775
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	4.78
IP(EA), eV:	-8.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)[C@H]3CCCO3

DOS

IR

Vibrations