Geometry & MOs

Info

ID:	182114
PubChem CID:	76846583
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	3.88
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-ethylpiperazin-1-yl)phenyl]-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C#C

DOS

IR

Vibrations