Geometry & MOs

Info

ID:	258298
PubChem CID:	103152759
Reduced:	FNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	215.109233
ΔH_f, kcal/mol:	-239.21
Dipole, Da:	2.92
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-(1,3-thiazol-5-ylmethyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(CC(=O)O)OC)F

DOS

IR

Vibrations