Geometry & MOs

Info

ID:	383794
PubChem CID:	134975728
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	222.086764
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	2.01
IP(EA), eV:	-9.44(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R)-2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1[C@@]2([C@]1(CCC2)OC)C3=CC=CC=C3

DOS

IR

Vibrations