Geometry & MOs

Info

ID:	424887
PubChem CID:	135124329
Reduced:	ClN2O3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	379.068646
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	4.11
IP(EA), eV:	-9.72(0.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;hexafluorophosphate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)O)CN(C)C(=O)CCl

DOS

IR

Vibrations