Geometry & MOs

Info

ID:	258923
PubChem CID:	103157425
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	299.9932
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	5.2
IP(EA), eV:	-9.57(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCC2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations