Geometry & MOs

Info

ID:	210601
PubChem CID:	80829054
Reduced:	ClSN6C13H13 (1)
Stoich.:	ABC6D13E13 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	111.9
Dipole, Da:	3.53
IP(EA), eV:	-8.68(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(oxan-3-yl)-2-N-propylpyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CN=CC(=N1)NC2=C(C=CC3=NSN=C32)Cl

DOS

IR

Vibrations