Geometry & MOs

Info

ID:	379604
PubChem CID:	134449582
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	172.055801
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	2.75
IP(EA), eV:	-8.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethylcyclohexa-2,4-diene-1-sulfinic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C(/C)\F)\OC1=C(C=C(C=C1)NN)C

DOS

IR

Vibrations