Geometry & MOs

Info

ID:	397716
PubChem CID:	135030610
Reduced:	SO3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	2.01
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-azidopropan-2-yl)-1-methylcyclohexene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C(=C1)C3=CC=CC=C3)SC=C2)O

DOS

IR

Vibrations