Geometry & MOs

Info

ID:	198480
PubChem CID:	79107255
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	0.88
Dipole, Da:	6.65
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2C=CC(=C2)C(=O)C

DOS

IR

Vibrations