Geometry & MOs

Info

ID:	171727
PubChem CID:	75418383
Reduced:	FSN6H15C17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	365.187005
ΔH_f, kcal/mol:	80.83
Dipole, Da:	4.59
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-amino-4-methylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone;hydrochloride

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations