Geometry & MOs

Info

ID:	231773
PubChem CID:	87574640
Reduced:	NO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	352.101032
ΔH_f, kcal/mol:	-157.7
Dipole, Da:	3.85
IP(EA), eV:	-10.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,2,3,3,3-hexafluoro-1-phenylpropoxy)cyclohexa-2,4-diene-1,1-diamine

Drug info:

PubChemData

Smile

C=COC(=O)C[C@@H](C(=O)O)N

DOS

IR

Vibrations