Geometry & MOs

Info

ID:	289514
PubChem CID:	104359415
Reduced:	BrClNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	342.95302
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	4.54
IP(EA), eV:	-9.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-2-chlorophenyl)-1-chloropropan-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)C(C2=C(C(=CC=C2)Br)Cl)O

DOS

IR

Vibrations