Geometry & MOs

Info

ID:	246399
PubChem CID:	103059507
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	3.42
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)OCC2=CN=C(C=N2)N

DOS

IR

Vibrations