Geometry & MOs

Info

ID:	285120
PubChem CID:	104098263
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	260.06532
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.96
IP(EA), eV:	-9.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-methylsulfanyl-N-[(5-nitrothiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CCO)CNCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations