Geometry & MOs

Info

ID:	142184
PubChem CID:	52997681
Reduced:	ClNOC22H28 (1)
Stoich.:	ABCD22E28 (1)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	8.06
Dipole, Da:	2.1
IP(EA), eV:	-8.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride

Drug info:

PubChemData

Smile

CCCN(CCC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl

DOS

IR

Vibrations