Geometry & MOs

Info

ID:	299097
PubChem CID:	117671233
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	682.229071
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	2.85
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

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CC(=O)COC1=CC=C(C=C1)C2=CN=CN2C

DOS

IR

Vibrations