Geometry & MOs

Info

ID:	268339
PubChem CID:	103598986
Reduced:	FO3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	22.91
Dipole, Da:	5.37
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations