Geometry & MOs

Info

ID:	37319
PubChem CID:	8019526
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	3.72
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethylanilino)-2-oxoethyl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations