Geometry & MOs

Info

ID:	285116
PubChem CID:	104098254
Reduced:	SN2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	56.51
Dipole, Da:	5.73
IP(EA), eV:	-9.66(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(5-nitrothiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

C#CCCCNCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations