Geometry & MOs

Info

ID:	4692
PubChem CID:	11878
Reduced:	N3H5O6C7 (1)
Stoich.:	A3B5C6D7 (1)
Weight, g/mol:	227.017835
ΔH_f, kcal/mol:	15.83
Dipole, Da:	5.39
IP(EA), eV:	-11.58(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,4,5-trinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations