Geometry & MOs

Info

ID:	261544
PubChem CID:	103239458
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	4.22
IP(EA), eV:	-9.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)NC1CCC2=CC=CC=C12

DOS

IR

Vibrations