Geometry & MOs

Info

ID:	429532
PubChem CID:	135169581
Reduced:	ClN5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	301.121353
ΔH_f, kcal/mol:	102.99
Dipole, Da:	5.13
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine

Drug info:

PubChemData

Smile

CCC(=C)C1=NN(N=C1)C2=C(C=C(C=N2)NC)Cl

DOS

IR

Vibrations