Geometry & MOs

Info

ID:	205773
PubChem CID:	80155172
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	3.47
IP(EA), eV:	-9.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(but-2-enoxymethyl)pyridin-3-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)CNCCNS(=O)(=O)C

DOS

IR

Vibrations