Geometry & MOs

Info

ID:	436237
PubChem CID:	135195687
Reduced:	FN3O4C27H30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	386.152952
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	1.91
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R,2R)-2-(1,3-benzodioxol-5-yloxymethyl)cyclohexyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)F)CC(=O)NCCC5=CNN=C5

DOS

IR

Vibrations