Geometry & MOs

Info

ID:	393719
PubChem CID:	135021559
Reduced:	SeN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	352.064647
ΔH_f, kcal/mol:	27.62
Dipole, Da:	5.95
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-(methylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C3=CC=CC=C3NC2=O)[Se]C4=CC=CC=C4

DOS

IR

Vibrations