Geometry & MOs

Info

ID:	151603
PubChem CID:	55161612
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	1.87
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dinitrophenyl)-N-ethylbutan-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=CN=C2S1)CC(COC)N

DOS

IR

Vibrations