Geometry & MOs

Info

ID:	174786
PubChem CID:	75814042
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	355.118163
ΔH_f, kcal/mol:	1.37
Dipole, Da:	2.68
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CSC=C3

DOS

IR

Vibrations