Geometry & MOs

Info

ID:	372027
PubChem CID:	131287524
Reduced:	BrClFIH4C7 (1)
Stoich.:	ABCDE4F7 (1)
Weight, g/mol:	156.089878
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	2.16
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-3-(hydroxymethyl)-5-methylmorpholine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1Cl)CBr)F)I

DOS

IR

Vibrations