Geometry & MOs

Info

ID:	198763
PubChem CID:	79146509
Reduced:	S2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	69.61
Dipole, Da:	1.71
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NCCC3=NC=CS3

DOS

IR

Vibrations