Geometry & MOs

Info

ID:	263366
PubChem CID:	103359423
Reduced:	SN5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	284.167083
ΔH_f, kcal/mol:	59.26
Dipole, Da:	3.96
IP(EA), eV:	-8.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-(azepan-1-yl)ethyl]-4-ethoxy-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CN1CCCC(C1)NC2=C(C(=NS2)N)C3=CC=NC=C3

DOS

IR

Vibrations