Geometry & MOs

Info

ID:	226309
PubChem CID:	87350395
Reduced:	NO2C5H12 (2)
Stoich.:	AB2C5D12 (2)
Weight, g/mol:	532.085776
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	3.34
IP(EA), eV:	-9.1(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

CC(OC)OC.CN(C)C=O.CN(C)C=O

DOS

IR

Vibrations