Geometry & MOs

Info

ID:	436241
PubChem CID:	135195691
Reduced:	NF3O4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	505.226451
ΔH_f, kcal/mol:	-252.84
Dipole, Da:	2.58
IP(EA), eV:	-8.2(-0.41)
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-[(2-methoxyphenyl)methyl]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)NCCC5=C(C=CC=C5F)F

DOS

IR

Vibrations