Geometry & MOs

Info

ID:	412699
PubChem CID:	135085613
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	2.91
IP(EA), eV:	-10.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-prop-2-ynylindol-5-yl) acetate

Drug info:

PubChemData

Smile

CCCC(CC#N)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations