Geometry & MOs

Info

ID:	429500
PubChem CID:	135169549
Reduced:	ON5H31C50 (1)
Stoich.:	AB5C31D50 (1)
Weight, g/mol:	282.06031
ΔH_f, kcal/mol:	248.41
Dipole, Da:	3.09
IP(EA), eV:	-8.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-fluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)ethenamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=C(C=CC7=CC=CC=C76)C8=C5C9=C(C=C8)N=C(O9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations