Geometry & MOs

Info

ID:	268372
PubChem CID:	103599146
Reduced:	FN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	277.086269
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	4.72
IP(EA), eV:	-9.35(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-ethyl-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(C2=CC=CC=C2)NC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations