Geometry & MOs

Info

ID:	270174
PubChem CID:	103631821
Reduced:	BrNOSC11H18 (1)
Stoich.:	ABCDE11F18 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine

Drug info:

PubChemData

Smile

COCCCCCNCC1=CSC(=C1)Br

DOS

IR

Vibrations