Geometry & MOs

Info

ID:	285111
PubChem CID:	104098230
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	6.19
IP(EA), eV:	-9.78(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations