Geometry & MOs

Info

ID:	145969
PubChem CID:	53619230
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	443.09158
ΔH_f, kcal/mol:	-137.27
Dipole, Da:	3.87
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octan-6-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2OC)C(=O)N3CCN(CC3)CC(C)(C)O

DOS

IR

Vibrations