Geometry & MOs

Info

ID:	285105
PubChem CID:	104098198
Reduced:	O2S2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	49.24
Dipole, Da:	6.84
IP(EA), eV:	-9.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitrothiophen-2-yl)methylamino]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations