Geometry & MOs

Info

ID:	393639
PubChem CID:	135021331
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	-152.33
Dipole, Da:	3.35
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)N1CCCC1=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations