Geometry & MOs

Info

ID:	268353
PubChem CID:	103599036
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	5.11
IP(EA), eV:	-8.33(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[3-(4-fluoro-2-nitrophenyl)prop-2-enoylamino]propanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)NC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations