Geometry & MOs

Info

ID:	365273
PubChem CID:	127317618
Reduced:	ClFO2N3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	2.31
IP(EA), eV:	-8.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CNC(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations