Geometry & MOs

Info

ID:	143158
PubChem CID:	53155483
Reduced:	FO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	3.12
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations