Geometry & MOs

Info

ID:	372717
PubChem CID:	131303161
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	48.46
Dipole, Da:	3.36
IP(EA), eV:	-9.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethyl-1,3-benzothiazol-5-yl)butan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)C(CC2=CN=CN2)N

DOS

IR

Vibrations