Geometry & MOs

Info

ID:	440178
PubChem CID:	135230088
Reduced:	BrPC4H10 (1)
Stoich.:	ABC4D10 (1)
Weight, g/mol:	257.054421
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	2.49
IP(EA), eV:	-9.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-7-nitro-3-(propan-2-yldisulfanyl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CCC(C)PBr

DOS

IR

Vibrations