Geometry & MOs

Info

ID:	278726
PubChem CID:	103837269
Reduced:	O2N4H8C13 (1)
Stoich.:	A2B4C8D13 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	102.53
Dipole, Da:	9.26
IP(EA), eV:	-9.29(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=N/C(=C\3/C=CC(=N3)C#N)/ON2

DOS

IR

Vibrations