Geometry & MOs

Info

ID:	250500
PubChem CID:	103097130
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	2.75
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN)C1=NC2=C(S1)CCCCC2

DOS

IR

Vibrations