Geometry & MOs

Info

ID:	55657
PubChem CID:	17395747
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	259.110947
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	2.77
IP(EA), eV:	-8.78(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)OC)/NC1=S

DOS

IR

Vibrations