Geometry & MOs

Info

ID:	124173
PubChem CID:	50873915
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	317.98263
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	7.76
IP(EA), eV:	-9.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(4-methyl-1,3-benzothiazol-2-yl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])N2CC(CC2=O)C(=O)OC

DOS

IR

Vibrations