Geometry & MOs

Info

ID:	67028
PubChem CID:	46505724
Reduced:	NOBr2F2H19C22 (1)
Stoich.:	ABC2D2E19F22 (1)
Weight, g/mol:	373.240565
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	0.85
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(4-ethylphenyl)methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(N1C/C(=C\C2=CC(=C(C=C2)F)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/C1)C

DOS

IR

Vibrations