Geometry & MOs

Info

ID:	263405
PubChem CID:	103364417
Reduced:	SN5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	241.161269
ΔH_f, kcal/mol:	64.76
Dipole, Da:	3.39
IP(EA), eV:	-8.43(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-N-octyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)C2=C(C(=NS2)N)C3=CN=CC=C3

DOS

IR

Vibrations