Geometry & MOs

Info

ID:	322882
PubChem CID:	126671524
Reduced:	SN5O6C33H49 (1)
Stoich.:	AB5C6D33E49 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-272.89
Dipole, Da:	7.68
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[6-(methylamino)pyridin-3-yl]oxypropoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O)N

DOS

IR

Vibrations