Geometry & MOs

Info

ID:	390963
PubChem CID:	135001864
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-131.73
Dipole, Da:	3.85
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-methoxyphenyl)methyl]-1,3-dioxane-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)O/C=C/CC1=C(C=CC=C1OC)OC

DOS

IR

Vibrations