Geometry & MOs

Info

ID:	151818
PubChem CID:	56310631
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	461.234828
ΔH_f, kcal/mol:	15.31
Dipole, Da:	5.64
IP(EA), eV:	-9.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations