Geometry & MOs

Info

ID:	145894
PubChem CID:	53608404
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	321.14887
ΔH_f, kcal/mol:	14.96
Dipole, Da:	4.14
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-ethylpiperidin-4-yl)-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C(=O)N2CCCCC2CN3C=CC=N3

DOS

IR

Vibrations