Geometry & MOs

Info

ID:	393408
PubChem CID:	135020474
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	174.025169
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	6.39
IP(EA), eV:	-9.21(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-thiophen-2-ylethynyl)imidazole

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=CC=C1)\NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations