Geometry & MOs

Info

ID:	246388
PubChem CID:	103059472
Reduced:	FO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	4.43
IP(EA), eV:	-9.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[pentyl(propan-2-yl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)OCC2=CN=C(C=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations