Geometry & MOs

Info

ID:	43233
PubChem CID:	10320019
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	421.218784
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	4.78
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

Drug info:

PubChemData

Smile

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)NC(=O)C5CCOCC5

DOS

IR

Vibrations