Geometry & MOs

Info

ID:	436242
PubChem CID:	135195692
Reduced:	FNO5C30H32 (1)
Stoich.:	ABC5D30E32 (1)
Weight, g/mol:	490.226786
ΔH_f, kcal/mol:	-193.97
Dipole, Da:	3.57
IP(EA), eV:	-8.41(-0.19)
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-pyridin-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CC2=C(C=CC(=C2)[C@@H]3CCCC[C@H]3COC4=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations