Geometry & MOs

Info

ID:	19969
PubChem CID:	576000
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	5.93
Dipole, Da:	4.24
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitrohex-1-enylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations