Geometry & MOs

Info

ID:	137233
PubChem CID:	52174302
Reduced:	ClN2F3O4H12C16 (1)
Stoich.:	AB2C3D4E12F16 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-209.4
Dipole, Da:	5.44
IP(EA), eV:	-9.68(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[(4-bromophenyl)methyl]-3-methylmorpholine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations