Geometry & MOs

Info

ID:	341001
PubChem CID:	127263436
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	337.89762
ΔH_f, kcal/mol:	21.08
Dipole, Da:	5.06
IP(EA), eV:	-9.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dibromophenoxy)butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CO)N(CC1=CC=CC=C1)CC2=C(C=NN2)Br

DOS

IR

Vibrations