Geometry & MOs

Info

ID:	78355
PubChem CID:	49688806
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	344.134777
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	1.17
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)CNC(=O)CCSC2=CC=CC=C2

DOS

IR

Vibrations