Geometry & MOs

Info

ID:	84198
PubChem CID:	49865010
Reduced:	ClFN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	451.07831
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	4.58
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-6-propoxy-1-benzofuran-3-one;bromide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations