Geometry & MOs

Info

ID:	383760
PubChem CID:	134975675
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	1.98
IP(EA), eV:	-10.3(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbut-3-enyl)-3-methylsulfanylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC([C@H]1C[C@H]2CC[C@@H]1C2)O

DOS

IR

Vibrations