Geometry & MOs

Info

ID:	140146
PubChem CID:	52654301
Reduced:	FON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	421.176834
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	4.09
IP(EA), eV:	-8.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC(=C(C=C1)N(C)C2CCCCC2)F

DOS

IR

Vibrations