Geometry & MOs

Info

ID:	158235
PubChem CID:	56463207
Reduced:	BrO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	25.7
Dipole, Da:	3.49
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=C(C4=CC=CC=C4N3)Br

DOS

IR

Vibrations