Geometry & MOs

Info

ID:	360436
PubChem CID:	127301081
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	5.64
IP(EA), eV:	-9.1(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations