Geometry & MOs

Info

ID:	374883
PubChem CID:	131349639
Reduced:	BrN2F5H6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	241.052605
ΔH_f, kcal/mol:	-230.9
Dipole, Da:	4.5
IP(EA), eV:	-10.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)[C@@H](C(C(F)(F)F)(F)F)N

DOS

IR

Vibrations