Geometry & MOs

Info

ID:	70630
PubChem CID:	48413617
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	388.05349
ΔH_f, kcal/mol:	0.2
Dipole, Da:	5.79
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CN3C(=C)C4=CC=CC=C4C3=O

DOS

IR

Vibrations