Geometry & MOs

Info

ID:	227403
PubChem CID:	87561687
Reduced:	OS2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	46.23
Dipole, Da:	2.3
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-aminophenyl)cyclohexa-2,4-diene-1,1,2-triamine;hydrogen peroxide

Drug info:

PubChemData

Smile

C1=CC(C=C1)CSOSCC2C=CC=C2

DOS

IR

Vibrations