Geometry & MOs

Info

ID:	270593
PubChem CID:	103637205
Reduced:	NOSBr2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	337.04775
ΔH_f, kcal/mol:	14.27
Dipole, Da:	4.44
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCC2=CC(=CS2)Br)O

DOS

IR

Vibrations