Geometry & MOs

Info

ID:	14794
PubChem CID:	420808
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	3.09
IP(EA), eV:	-8.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCCC3=CC=CC=C3C2=O

DOS

IR

Vibrations