Geometry & MOs

Info

ID:	208993
PubChem CID:	80609904
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	4.57
IP(EA), eV:	-9.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C2=NC3=C(S2)CCCC3=O

DOS

IR

Vibrations