Geometry & MOs

Info

ID:	291609
PubChem CID:	113447711
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	241.067369
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	6.49
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C(C)CC(=O)O)C(=O)C1=C(C=CC=N1)N

DOS

IR

Vibrations