Geometry & MOs

Info

ID:	75642
PubChem CID:	48423780
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	6.13
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OCC3CC3

DOS

IR

Vibrations