Geometry & MOs

Info

ID:	285119
PubChem CID:	104098261
Reduced:	N2O2S2C11H18 (1)
Stoich.:	A2B2C2D11E18 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	0.53
Dipole, Da:	7.64
IP(EA), eV:	-8.77(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[(5-nitrothiophen-2-yl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations