Geometry & MOs

Info

ID:	303082
PubChem CID:	124489187
Reduced:	BrClFH9C13 (1)
Stoich.:	ABCD9E13 (1)
Weight, g/mol:	254.006534
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	2.78
IP(EA), eV:	-9.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(R)-chloro-(4-fluorophenyl)methyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)[C@H](C2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations