Geometry & MOs

Info

ID:	9314
PubChem CID:	87898
Reduced:	N3H5O5C8 (1)
Stoich.:	A3B5C5D8 (1)
Weight, g/mol:	223.02292
ΔH_f, kcal/mol:	14.32
Dipole, Da:	4.04
IP(EA), eV:	-10.91(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3,5-dinitrobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N

DOS

IR

Vibrations