Geometry & MOs

Info

ID:	440186
PubChem CID:	135230096
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	285.085721
ΔH_f, kcal/mol:	2.81
Dipole, Da:	3.97
IP(EA), eV:	-8.07(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-(3-methylbutan-2-yldisulfanyl)-7-nitrocyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C/C=C\C(=C)C(=O)NC1=CC=C(C=C1)N

DOS

IR

Vibrations