Geometry & MOs

Info

ID:	203529
PubChem CID:	79841871
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	5.44
IP(EA), eV:	-8.45(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1=C(C=C2CCCC2=N1)C(=NO)N

DOS

IR

Vibrations