Geometry & MOs

Info

ID:	198479
PubChem CID:	79107254
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	4.43
IP(EA), eV:	-9.2(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CCCC(=O)NC

DOS

IR

Vibrations