Geometry & MOs

Info

ID:	121734
PubChem CID:	50779480
Reduced:	ClFO3N4C21H30 (1)
Stoich.:	ABC3D4E21F30 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-161.92
Dipole, Da:	3.01
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)CCN(CCCN2CCOCC2)C(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations