Geometry & MOs

Info

ID:	339246
PubChem CID:	127260625
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-138.66
Dipole, Da:	3.7
IP(EA), eV:	-9.28(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC(=O)[C@@H](C1)OC(C)(C)C

DOS

IR

Vibrations