Geometry & MOs

Info

ID:	199658
PubChem CID:	79277828
Reduced:	BrSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	5.25
IP(EA), eV:	-9.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCC(C)N1C2=C(C=C(C=N2)Br)N=C1SCC(=O)O

DOS

IR

Vibrations