Geometry & MOs

Info

ID:	182113
PubChem CID:	76846330
Reduced:	ClON2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	25.11
Dipole, Da:	3.32
IP(EA), eV:	-9.61(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-ethynylindole-1-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C=O)C=NN2)Cl

DOS

IR

Vibrations