Geometry & MOs

Info

ID:	379989
PubChem CID:	134964435
Reduced:	ClNF3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	3.81
IP(EA), eV:	-9.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,6R)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=C(C(=CC=C2)C(F)(F)F)Cl)N

DOS

IR

Vibrations