Geometry & MOs

Info

ID:	4630
PubChem CID:	11772
Reduced:	N3H5C7O7 (1)
Stoich.:	A3B5C7D7 (1)
Weight, g/mol:	243.01275
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	3.32
IP(EA), eV:	-11.33(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations