Geometry & MOs

Info

ID:	84254
PubChem CID:	49865128
Reduced:	ClFNO3H19C23 (1)
Stoich.:	ABCD3E19F23 (1)
Weight, g/mol:	455.05323
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	11.65
IP(EA), eV:	-7.44(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-ethoxy-2-[[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1-benzofuran-3-one;bromide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=[N+](C=C3)CC4=CC=CC=C4F)/O2.[Cl-]

DOS

IR

Vibrations