Geometry & MOs

Info

ID:	382259
PubChem CID:	134973310
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	401.069734
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	2.51
IP(EA), eV:	-8.31(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2-aminophenyl)-phenylmethylidene]-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione

Drug info:

PubChemData

Smile

CN1C[C@H]2[C@@H](N(CC(C1)O2)C)C3=CC=CC=C3

DOS

IR

Vibrations