Geometry & MOs

Info

ID:	4123
PubChem CID:	10800
Reduced:	N2O5H6C7 (1)
Stoich.:	A2B5C6D7 (1)
Weight, g/mol:	198.027671
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	4.78
IP(EA), eV:	-10.49(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4,6-dinitrophenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations