Geometry & MOs

Info

ID:	320539
PubChem CID:	126661707
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	336.123383
ΔH_f, kcal/mol:	63.25
Dipole, Da:	7.04
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-ethenyl-4-fluoro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]formamide

Drug info:

PubChemData

Smile

C/C=C(/C(=C)C)\N/C(=C\1/C=CN=C1)/C

DOS

IR

Vibrations