Geometry & MOs

Info

ID:	365272
PubChem CID:	127317617
Reduced:	F2O2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	353.130633
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	2.11
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations