Geometry & MOs

Info

ID:	387891
PubChem CID:	134987289
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	1.45
IP(EA), eV:	-9.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-tert-butyl-4-methyl-1,3-dioxane-4-carbaldehyde

Drug info:

PubChemData

Smile

CN1CO[C@H]2[C@@H]1C3=CC=CC=C3CC2

DOS

IR

Vibrations