Geometry & MOs

Info

ID:	389073
PubChem CID:	134991076
Reduced:	ClOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	212.123256
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	3.79
IP(EA), eV:	-9.56(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC[C@]([C@@H](C1)Cl)(C)C=O

DOS

IR

Vibrations