Geometry & MOs

Info

ID:	81348
PubChem CID:	49854628
Reduced:	O3N5C28H37 (1)
Stoich.:	A3B5C28D37 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	5.8
IP(EA), eV:	-8.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-ethoxy-1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C(C(=C(N2)C)C(=O)OCC)C)C(=NC1=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

DOS

IR

Vibrations