Geometry & MOs

Info

ID:	285460
PubChem CID:	104106249
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	5.38
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylmethylamino)pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NC(CN)C1=CC2=C(C=C1)OCC2

DOS

IR

Vibrations