Geometry & MOs

Info

ID:	285225
PubChem CID:	104098730
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	260.083078
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	7.72
IP(EA), eV:	-9.45(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-N-[(5-nitrothiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CCOC(C1)CCNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations