Geometry & MOs

Info

ID:	372960
PubChem CID:	131307584
Reduced:	BrINOC9H9 (1)
Stoich.:	ABCDE9F9 (1)
Weight, g/mol:	201.072055
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	2.09
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(2-chloro-5-fluorophenyl)butan-2-amine

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C=CC(=C2CO1)I)Br)N

DOS

IR

Vibrations