Geometry & MOs

Info

ID:	431615
PubChem CID:	135171703
Reduced:	F3N3O3C26H34 (1)
Stoich.:	A3B3C3D26E34 (1)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	-265.74
Dipole, Da:	6.62
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-methylpropyl)oxan-4-amine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations