Geometry & MOs

Info

ID:	309019
PubChem CID:	126534757
Reduced:	N4H7C11 (2)
Stoich.:	A4B7C11 (2)
Weight, g/mol:	424.233763
ΔH_f, kcal/mol:	247.16
Dipole, Da:	5.24
IP(EA), eV:	-8.72(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC=NC=C6)NN4)/N=C23

DOS

IR

Vibrations