Geometry & MOs

Info

ID:	144642
PubChem CID:	53392058
Reduced:	FNO4H8C12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	218.084398
ΔH_f, kcal/mol:	-168.17
Dipole, Da:	8.19
IP(EA), eV:	-9.41(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-pyridin-3-ylethynyl)-1H-indole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC=C2C=C(C(=O)O)C(=O)O

DOS

IR

Vibrations