Geometry & MOs

Info

ID:	25527
PubChem CID:	626243
Reduced:	NSBr2H3C7 (1)
Stoich.:	ABC2D3E7 (1)
Weight, g/mol:	384.166924
ΔH_f, kcal/mol:	65.48
Dipole, Da:	1.74
IP(EA), eV:	-9.32(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	-8

Chem-info

IUPAC name:

iron;1,2,3,4,5-pentamethylcyclopentane;propylbenzene;trimethylphosphane

Drug info:

PubChemData

Smile

C1=CN=CC2=C1SC(=C2Br)Br

DOS

IR

Vibrations