Geometry & MOs

Info

ID:	209003
PubChem CID:	80611221
Reduced:	N2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	12.56
Dipole, Da:	1.02
IP(EA), eV:	-9.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclooctane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2CCCCCCC2)NN

DOS

IR

Vibrations