Geometry & MOs

Info

ID:	252501
PubChem CID:	103111803
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	42.8
Dipole, Da:	4.51
IP(EA), eV:	-9.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2-nitropyridin-3-amine

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations