Geometry & MOs

Info

ID:	390669
PubChem CID:	135000258
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	223.04557
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	2.71
IP(EA), eV:	-9.41(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-thiophen-2-ylethynyl)indole

Drug info:

PubChemData

Smile

CC(C)CC(=O)C[C@@H](C1=CC=CC=C1)NOC

DOS

IR

Vibrations