Geometry & MOs

Info

ID:	153037
PubChem CID:	56312153
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	1.97
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

DOS

IR

Vibrations