Geometry & MOs

Info

ID:	397893
PubChem CID:	135030921
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	-116.31
Dipole, Da:	8.26
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-(4-methoxy-4-oxobutyl)indol-3-yl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CNC2=C1C=C(C=C2)C#N)C(=O)OCC

DOS

IR

Vibrations