Geometry & MOs

Info

ID:	206828
PubChem CID:	80306286
Reduced:	ClON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	296.192235
ΔH_f, kcal/mol:	30.06
Dipole, Da:	5.99
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclohexyloxyethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=C(C=CC(=C2)C#N)Cl)C(=O)N

DOS

IR

Vibrations