Geometry & MOs

Info

ID:	285198
PubChem CID:	104098608
Reduced:	SO2N7C9H9 (1)
Stoich.:	AB2C7D9E9 (1)
Weight, g/mol:	282.022977
ΔH_f, kcal/mol:	117.02
Dipole, Da:	7.29
IP(EA), eV:	-9.33(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNC2=C(N3C=CSC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations