Geometry & MOs

Info

ID:	71717
PubChem CID:	48415254
Reduced:	ClON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	365.130633
ΔH_f, kcal/mol:	64.61
Dipole, Da:	2.84
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-2-chloro-4-fluorobenzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations