Geometry & MOs

Info

ID:	339468
PubChem CID:	127261401
Reduced:	NO7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-233.73
Dipole, Da:	4.46
IP(EA), eV:	-9.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2,5-dioxopyrrolidin-1-yl)-methylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1([C@H]([C@@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OC)O)C#N

DOS

IR

Vibrations