Geometry & MOs

Info

ID:	364365
PubChem CID:	127315508
Reduced:	FSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-168.68
Dipole, Da:	4.76
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-methylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CSCC1C(=O)NC2=CC=C(C=C2)F)NC(=O)C3CCCC3

DOS

IR

Vibrations