Geometry & MOs

Info

ID:	131844
PubChem CID:	51268013
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-62.55
Dipole, Da:	3.31
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)N(C)C(C)C2=CC=CS2)OC

DOS

IR

Vibrations