Geometry & MOs

Info

ID:	125479
PubChem CID:	50925929
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	422.03784
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	4.64
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)C(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations