Geometry & MOs

Info

ID:	385525
PubChem CID:	134979310
Reduced:	H11C12 (2)
Stoich.:	A11B12 (2)
Weight, g/mol:	302.112979
ΔH_f, kcal/mol:	141.4
Dipole, Da:	0.35
IP(EA), eV:	-9.1(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC2C1[C@@]3([C@]2(C4C3C=CC4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations