Geometry & MOs

Info

ID:	246301
PubChem CID:	103059106
Reduced:	ClO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	240.144948
ΔH_f, kcal/mol:	20.26
Dipole, Da:	5.55
IP(EA), eV:	-9.34(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations