Geometry & MOs

Info

ID:	145378
PubChem CID:	53513195
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	11.17
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-phenylbutanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CCC(=O)NC2=CN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations