Geometry & MOs

Info

ID:	8000
PubChem CID:	74674
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	4.62
IP(EA), eV:	-10.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations