Geometry & MOs

Info

ID:	285135
PubChem CID:	104098296
Reduced:	N2S2O3C10H16 (1)
Stoich.:	A2B2C3D10E16 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	2.92
IP(EA), eV:	-8.45(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-nitrothiophen-2-yl)methylamino]pentan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations