Geometry & MOs

Info

ID:	84272
PubChem CID:	49865168
Reduced:	O4N5H21C23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	407.128821
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	6.41
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(C=C2)[C@]3(C(=O)NC(=O)N3)CN4CC5=C(C4=O)C=C(C=C5)OC

DOS

IR

Vibrations