Geometry & MOs

Info

ID:	143196
PubChem CID:	53162265
Reduced:	O2N5H13C15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	42.78
Dipole, Da:	1.28
IP(EA), eV:	-9.7(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(azepan-1-yl)pyridin-3-yl]-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CC2=NN=C(O2)C3=NC=CN=C3

DOS

IR

Vibrations