Geometry & MOs

Info

ID:	268337
PubChem CID:	103598980
Reduced:	ClFN2O5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	372.11215
ΔH_f, kcal/mol:	-113.19
Dipole, Da:	6.2
IP(EA), eV:	-8.25(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-])OC)Cl

DOS

IR

Vibrations