Geometry & MOs

Info

ID:	142953
PubChem CID:	53121504
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	468.131281
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	4.6
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)CCC(=O)N5CCOCC5

DOS

IR

Vibrations