Geometry & MOs

Info

ID:	25355
PubChem CID:	623501
Reduced:	SO2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	9.64
Dipole, Da:	3.09
IP(EA), eV:	-8.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2,6-dinitro-N-phenylaniline

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=CC=C3O

DOS

IR

Vibrations