Geometry & MOs

Info

ID:	79180
PubChem CID:	49747241
Reduced:	FN3O4C29H34 (1)
Stoich.:	AB3C4D29E34 (1)
Weight, g/mol:	519.228183
ΔH_f, kcal/mol:	-132.08
Dipole, Da:	7.34
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NCC(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations