Geometry & MOs

Info

ID:	49095
PubChem CID:	11528704
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	227.094629
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	5.57
IP(EA), eV:	-10.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethynyl-1-methylindole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C=CNC2=O)C#N

DOS

IR

Vibrations