Geometry & MOs

Info

ID:	124432
PubChem CID:	50883151
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	6.71
IP(EA), eV:	-9.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3,4-dimethyl-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=C1OC)C)C)[N+](=O)[O-]

DOS

IR

Vibrations