Geometry & MOs

Info

ID:	205256
PubChem CID:	80076136
Reduced:	NOCl2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	220.10342
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	1.08
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1Cl)Cl)C(C)NCCOC

DOS

IR

Vibrations