Geometry & MOs

Info

ID:	35651
PubChem CID:	7980147
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	359.152144
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	5.2
IP(EA), eV:	-8.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylanilino)ethyl] 3,5-dimethylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1C/C(=C/C2=CC=CO2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C(C)(C)C

DOS

IR

Vibrations