Geometry & MOs

Info

ID:	4788
PubChem CID:	12030
Reduced:	N2O5H6C7 (1)
Stoich.:	A2B5C6D7 (1)
Weight, g/mol:	198.027671
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	7.41
IP(EA), eV:	-10.8(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,4-dinitrophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations