Geometry & MOs

Info

ID:	4688
PubChem CID:	11872
Reduced:	N2O5H6C7 (1)
Stoich.:	A2B5C6D7 (1)
Weight, g/mol:	198.027671
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	5.31
IP(EA), eV:	-10.28(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2,6-dinitrophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations