Geometry & MOs

Info

ID:	400580
PubChem CID:	135048396
Reduced:	BNC36H48 (1)
Stoich.:	ABC36D48 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	45.76
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5Z)-3-(4-methoxyphenoxy)-2,4-dimethylocta-5,7-dienal

Drug info:

PubChemData

Smile

B(C/C=C/N=C(C1=CC=CC=C1)C2=CC=CC=C2)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)[C@@H]5C[C@@H]6C[C@H]([C@H]5C)C6(C)C

DOS

IR

Vibrations