Geometry & MOs

Info

ID:	22426
PubChem CID:	597183
Reduced:	FN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	290.070285
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	0.81
IP(EA), eV:	-9.17(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations