Geometry & MOs

Info

ID:	344658
PubChem CID:	127268246
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	4.95
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=C(C=C3)C

DOS

IR

Vibrations