Geometry & MOs

Info

ID:	429416
PubChem CID:	135169448
Reduced:	O2N5H25C44 (1)
Stoich.:	A2B5C25D44 (1)
Weight, g/mol:	418.035079
ΔH_f, kcal/mol:	205.72
Dipole, Da:	4.07
IP(EA), eV:	-8.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N,N-bis(trifluoromethyl)ethenamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=C3C6=C(C=C5)N=C(O6)C7=CC=CC=C7)C8=CC=CC=C8C=C4)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations