Geometry & MOs

Info

ID:	200944
PubChem CID:	79465507
Reduced:	ClNOSC11H16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	1.07
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)OCC2=CC=C(S2)Cl)N

DOS

IR

Vibrations