Geometry & MOs

Info

ID:	357773
PubChem CID:	127294560
Reduced:	ClFO2N3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	396.172832
ΔH_f, kcal/mol:	-132.63
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-6-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations