Geometry & MOs

Info

ID:	356075
PubChem CID:	127291111
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	6.36
IP(EA), eV:	-8.84(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)NC3CCCOC3

DOS

IR

Vibrations