Geometry & MOs

Info

ID:	55890
PubChem CID:	17397073
Reduced:	BrN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	3.71
IP(EA), eV:	-9.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations