Geometry & MOs

Info

ID:	285110
PubChem CID:	104098228
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	7.44
IP(EA), eV:	-9.42(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-nitrothiophen-2-yl)methylamino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(C)C(COC)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations