Geometry & MOs

Info

ID:	399393
PubChem CID:	135040018
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-96.26
Dipole, Da:	2.18
IP(EA), eV:	-9.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1-methyl-2-oxo-3H-indol-3-yl)-3-prop-2-ynoxyprop-2-enenitrile

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)C13COCOC3

DOS

IR

Vibrations