Geometry & MOs

Info

ID:	285109
PubChem CID:	104098221
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	5.59
IP(EA), eV:	-9.63(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-methyl-N-[(5-nitrothiophen-2-yl)methyl]butan-2-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations