Geometry & MOs

Info

ID:	277989
PubChem CID:	103832478
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	2.82
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2=NC(=NO2)C3=CC(=CC=C3)O)N

DOS

IR

Vibrations