Geometry & MOs

Info

ID:	323383
PubChem CID:	126674651
Reduced:	FNOC7H8 (3)
Stoich.:	ABCD7E8 (3)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-247.49
Dipole, Da:	8.02
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[benzyl(2-carboxyethyl)amino]methyl]phthalic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2CCC(CC2)OCC3=CC=NC=C3

DOS

IR

Vibrations