Geometry & MOs

Info

ID:	285180
PubChem CID:	104098493
Reduced:	BrN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	262.044585
ΔH_f, kcal/mol:	94.18
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)NCCN2C=CN=N2

DOS

IR

Vibrations