Geometry & MOs

Info

ID:	280311
PubChem CID:	103848345
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	259.077535
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	2.11
IP(EA), eV:	-8.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=CC3=C(C(=C2)Br)OCCO3)O

DOS

IR

Vibrations