Geometry & MOs

Info

ID:	29934
PubChem CID:	838314
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	332.098334
ΔH_f, kcal/mol:	-73.35
Dipole, Da:	5.67
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]-2-naphthalen-2-ylpyrazol-3-one

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)C3=CC=CS3)O

DOS

IR

Vibrations