Geometry & MOs

Info

ID:	396892
PubChem CID:	135029397
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	13.6
Dipole, Da:	3.66
IP(EA), eV:	-8.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(1H-indol-2-ylmethyl)-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC2=CC3=CC=CC=C3N2

DOS

IR

Vibrations