Geometry & MOs

Info

ID:	392518
PubChem CID:	135017016
Reduced:	NH17C23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	137.16
Dipole, Da:	1.74
IP(EA), eV:	-8.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-1-hydroxy-3-oxo-2-phenacyl-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C#CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations