Geometry & MOs

Info

ID:	208515
PubChem CID:	80539573
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	220.10342
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	3.06
IP(EA), eV:	-8.86(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCNC(C)(C)C)C(=O)O

DOS

IR

Vibrations