Geometry & MOs

Info

ID:	285104
PubChem CID:	104098156
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	29.6
Dipole, Da:	6.47
IP(EA), eV:	-9.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1CC1NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations