Geometry & MOs

Info

ID:	436235
PubChem CID:	135195685
Reduced:	NF3O4H28C29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	476.211136
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	3.25
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(1R,2R)-2-(1,3-benzodioxol-5-yloxymethyl)cyclohexyl]-2-fluorophenyl]-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)F)CC(=O)NCC5=C(C=CC=C5F)F

DOS

IR

Vibrations