Geometry & MOs

Info

ID:	230440
PubChem CID:	87570907
Reduced:	NO2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	471.145516
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	4.7
IP(EA), eV:	-10.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-(methylamino)methyl] formate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)/C(=N/O)/C(=O)O

DOS

IR

Vibrations