Geometry & MOs

Info

ID:	202638
PubChem CID:	79702535
Reduced:	BrFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	345.07397
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	6.06
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)CNCC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations