Geometry & MOs

Info

ID:	129973
PubChem CID:	51074453
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	345.130026
ΔH_f, kcal/mol:	-112.76
Dipole, Da:	8.58
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CS1)C(=O)C2CCCN(C2)C(=O)N

DOS

IR

Vibrations