Geometry & MOs

Info

ID:	393263
PubChem CID:	135019906
Reduced:	NC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	72.87
Dipole, Da:	0.71
IP(EA), eV:	-7.85(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CN(CC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations