Geometry & MOs

Info

ID:	191505
PubChem CID:	78154940
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	308.134777
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	3.5
IP(EA), eV:	-9.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(2,2,2-trifluoroacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OCC(CO)(CO)N

DOS

IR

Vibrations