Geometry & MOs

Info

ID:	293044
PubChem CID:	117371208
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	2.83
IP(EA), eV:	-8.62(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzothiazol-5-yl)propan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OCCO2)C3(CCCCC3)N

DOS

IR

Vibrations