Geometry & MOs

Info

ID:	268365
PubChem CID:	103599100
Reduced:	FSN3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	324.148535
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	4.71
IP(EA), eV:	-9.09(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-butoxypropyl)-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations