Geometry & MOs

Info

ID:	264583
PubChem CID:	103472405
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	5.77
IP(EA), eV:	-9.75(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NC(=NO2)COCC(F)(F)F)CCN

DOS

IR

Vibrations