Geometry & MOs

Info

ID:	58404
PubChem CID:	24698222
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	3.37
IP(EA), eV:	-9.4(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C1CC2CCC1C2)N

DOS

IR

Vibrations