Geometry & MOs

Info

ID:	358465
PubChem CID:	127296061
Reduced:	F2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	351.263425
ΔH_f, kcal/mol:	-215.0
Dipole, Da:	3.78
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)N2CCCCC(C2)N3CCCC3)OC(F)F

DOS

IR

Vibrations