Geometry & MOs

Info

ID:	8326
PubChem CID:	76432
Reduced:	NO2H5C8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	147.032028
ΔH_f, kcal/mol:	73.91
Dipole, Da:	5.1
IP(EA), eV:	-10.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-3-nitrobenzene

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations