Geometry & MOs

Info

ID:	258279
PubChem CID:	103152509
Reduced:	O4N5C8H13 (1)
Stoich.:	A4B5C8D13 (1)
Weight, g/mol:	243.140533
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	10.2
IP(EA), eV:	-10.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CN1C=NN=N1

DOS

IR

Vibrations