Geometry & MOs

Info

ID:	25121
PubChem CID:	619101
Reduced:	OSN2C20H30 (1)
Stoich.:	ABC2D20E30 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	5.49
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxycyclohexyl)-6-methyl-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N

DOS

IR

Vibrations