Geometry & MOs

Info

ID:	142330
PubChem CID:	53017858
Reduced:	FO5N6H13C20 (1)
Stoich.:	AB5C6D13E20 (1)
Weight, g/mol:	448.105066
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	3.78
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CN4C5C(C(=O)N(C5=O)C6=CC(=CC=C6)F)N=N4

DOS

IR

Vibrations