Geometry & MOs

Info

ID:	294654
PubChem CID:	117479099
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-23.05
Dipole, Da:	3.85
IP(EA), eV:	-8.5(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(aminomethyl)cyclohexyl]-2-methyl-4-methylsulfonylphenol

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CC3(CC3)N

DOS

IR

Vibrations