Geometry & MOs

Info

ID:	282687
PubChem CID:	103936336
Reduced:	SN2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	77.75
Dipole, Da:	3.92
IP(EA), eV:	-8.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxepan-4-yl)-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1CC1C(C2CC2)NC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations