Geometry & MOs

Info

ID:	26829
PubChem CID:	799029
Reduced:	BrNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	6.93
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-2-methoxyaniline

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=C(C=C1)Br)N2CCCCC2

DOS

IR

Vibrations