Geometry & MOs

Info

ID:	121736
PubChem CID:	50779572
Reduced:	ClFO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	4.71
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCN(CCC(=O)N2CCNCC2)C(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations