Geometry & MOs

Info

ID:	61110
PubChem CID:	26705754
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	395.08975
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	9.33
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(tetrazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)NC2=CC=C(C=C2)N3C=NN=N3)OC

DOS

IR

Vibrations