Geometry & MOs

Info

ID:	217381
PubChem CID:	85087726
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	2.64
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]but-3-enal

Drug info:

PubChemData

Smile

C1CC2C(CC1N2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5

DOS

IR

Vibrations