Geometry & MOs

Info

ID:	150544
PubChem CID:	53790237
Reduced:	NSO7C17H19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-189.23
Dipole, Da:	5.82
IP(EA), eV:	-8.99(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethoxymethylidene)-5-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=CC(=C2)OCCCO)C

DOS

IR

Vibrations