Geometry & MOs

Info

ID:	139920
PubChem CID:	52617930
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	345.121237
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	3.82
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-[3-(4-nitrophenoxy)propoxy]benzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC2=CSC(=N2)C3CCCCC3

DOS

IR

Vibrations