Geometry & MOs

Info

ID:	294261
PubChem CID:	117445957
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	7.06
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanal

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC=C(C=C1)OC2CCCOC2

DOS

IR

Vibrations