Geometry & MOs

Info

ID:	285191
PubChem CID:	104098537
Reduced:	O2F3N5H10C11 (1)
Stoich.:	A2B3C5D10E11 (1)
Weight, g/mol:	230.072513
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	4.98
IP(EA), eV:	-9.83(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(5-nitrothiophen-2-yl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCN2C=CN=N2

DOS

IR

Vibrations