Geometry & MOs

Info

ID:	283454
PubChem CID:	103982434
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	0.92
IP(EA), eV:	-8.9(2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1CCCNCC1

DOS

IR

Vibrations