Geometry & MOs

Info

ID:	319852
PubChem CID:	126657405
Reduced:	BrNOS2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	58.38
Dipole, Da:	2.77
IP(EA), eV:	-8.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[(2R)-4-methoxy-2-methylbutyl]-3-methylmorpholine

Drug info:

PubChemData

Smile

C1[C@@H]2C(N2C3=CC4=C(C=C3)SC5=C(S4)C=CC=C5Br)CO1

DOS

IR

Vibrations