Geometry & MOs

Info

ID:	178461
PubChem CID:	76332149
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	491.271882
ΔH_f, kcal/mol:	0.32
Dipole, Da:	3.93
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]piperazin-1-yl]-5-phenylphenol

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=N3)N

DOS

IR

Vibrations