Geometry & MOs

Info

ID:	250502
PubChem CID:	103097135
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-9.27
Dipole, Da:	2.91
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=CSC(=N2)C(C)(C)CN

DOS

IR

Vibrations