Geometry & MOs

Info

ID:	291923
PubChem CID:	113807800
Reduced:	OSN2F3C10H17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-200.95
Dipole, Da:	1.62
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-N-(1-phenylethyl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CN(CC(C(=S)N)C(F)(F)F)C1CCOCC1

DOS

IR

Vibrations