Geometry & MOs

Info

ID:	429530
PubChem CID:	135169579
Reduced:	ClOF3N8H18C22 (1)
Stoich.:	ABC3D8E18F22 (1)
Weight, g/mol:	367.054257
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	9.26
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N,N-bis(trifluoromethyl)-1-[4-(trifluoromethyl)piperazin-1-yl]ethenamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2)C3=CN=C(C(=C3C)C=C)N)C(F)(F)F)Cl)N4N=CC=N4

DOS

IR

Vibrations