Geometry & MOs

Info

ID:	36511
PubChem CID:	8007738
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	376.106848
ΔH_f, kcal/mol:	25.78
Dipole, Da:	4.33
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N2[C@@]3(CCCC[C@H]3N=N2)N4CCOCC4

DOS

IR

Vibrations