Geometry & MOs

Info

ID:	414087
PubChem CID:	135087041
Reduced:	ClN2O2H19C25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	438.100283
ΔH_f, kcal/mol:	48.45
Dipole, Da:	2.96
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-acetylindol-3-yl)butan-2-ylideneamino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

COCN1C2=CC=CC=C2C(=C1C(=O)NC3=CC=C(C=C3)Cl)C#CC4=CC=CC=C4

DOS

IR

Vibrations