Geometry & MOs

Info

ID:	285106
PubChem CID:	104098199
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	7.25
IP(EA), eV:	-9.79(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(C1)O)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations