Geometry & MOs

Info

ID:	82134
PubChem CID:	49855668
Reduced:	ClFPN4O5H29C30 (1)
Stoich.:	ABCD4E5F29G30 (1)
Weight, g/mol:	500.208691
ΔH_f, kcal/mol:	-182.43
Dipole, Da:	7.33
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(2,4-difluorophenyl)methylidene]-1-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]piperidin-4-one

Drug info:

PubChemData

Smile

COP(=O)(CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OC

DOS

IR

Vibrations