Geometry & MOs

Info

ID:	280067
PubChem CID:	103846676
Reduced:	BrFNOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	4.04
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyloxolan-3-yl)sulfanyl-3-nitrophenyl]ethanone

Drug info:

PubChemData

Smile

C#CC(=O)NC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations