Geometry & MOs

Info

ID:	6581
PubChem CID:	69051
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	5.24
IP(EA), eV:	-9.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-2-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations