Geometry & MOs

Info

ID:	340452
PubChem CID:	127262463
Reduced:	NO7C9H11 (1)
Stoich.:	AB7C9D11 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-289.36
Dipole, Da:	4.35
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-but-2-enoxy]benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)O)C(=O)OCC(=O)N.O

DOS

IR

Vibrations