Geometry & MOs

Info

ID:	436236
PubChem CID:	135195686
Reduced:	FN2O4C28H29 (1)
Stoich.:	AB2C4D28E29 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	4.2
IP(EA), eV:	-8.29(-0.47)
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-(1H-pyrazol-4-yl)ethyl]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=CC=CC=N5

DOS

IR

Vibrations