Geometry & MOs

Info

ID:	164432
PubChem CID:	74399796
Reduced:	ON3C26H35 (1)
Stoich.:	AB3C26D35 (1)
Weight, g/mol:	473.200068
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	2.64
IP(EA), eV:	-8.1(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-6-methoxy-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CC3CCCN(C3C2)CCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations