Geometry & MOs

Info

ID:	280182
PubChem CID:	103847380
Reduced:	BrFOSC12H14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-76.81
Dipole, Da:	2.79
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyloxolan-3-yl)sulfanyl-1-(1-methylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations