Geometry & MOs

Info

ID:	143161
PubChem CID:	53155486
Reduced:	ClFO3N4H16C20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	404.164854
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	5.86
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(=O)NC2=CC(=C(C=C2)F)Cl)C)C3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations