Geometry & MOs

Info

ID:	397892
PubChem CID:	135030920
Reduced:	NO4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	4.63
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(5-cyano-1H-indol-3-yl)propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(C4C=CC(=O)O4)O

DOS

IR

Vibrations