Geometry & MOs

Info

ID:	140552
PubChem CID:	52717664
Reduced:	SN3O5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	370.186813
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	2.52
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations