Geometry & MOs

Info

ID:	75207
PubChem CID:	48423174
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	3.79
IP(EA), eV:	-8.68(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCN1CCN(CC1)CC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations