Geometry & MOs

Info

ID:	205804
PubChem CID:	80159342
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	3.42
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3-methylsulfanylpropylamino)methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CNCC1=CN=C(C=C1)COC2CCOC2

DOS

IR

Vibrations