Geometry & MOs

Info

ID:	271420
PubChem CID:	103675838
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	298.153741
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	3.07
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNCC1=CN(N=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations