Geometry & MOs

Info

ID:	288503
PubChem CID:	104317867
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	4.15
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxybutoxy)-5-nitrobenzaldehyde

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)OC)C=O)O

DOS

IR

Vibrations