Geometry & MOs

Info

ID:	258284
PubChem CID:	103152558
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	243.140533
ΔH_f, kcal/mol:	-196.23
Dipole, Da:	6.78
IP(EA), eV:	-10.47(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations