Geometry & MOs

Info

ID:	317372
PubChem CID:	126636924
Reduced:	FNCl2O4C30H34 (1)
Stoich.:	ABC2D4E30F34 (1)
Weight, g/mol:	517.195063
ΔH_f, kcal/mol:	-196.96
Dipole, Da:	9.23
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorophenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)[C@@H]5CCC[C@H]5C(=O)O)F

DOS

IR

Vibrations