Geometry & MOs

Info

ID:	289515
PubChem CID:	104359428
Reduced:	BrNCl2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	414.87972
ΔH_f, kcal/mol:	29.99
Dipole, Da:	3.12
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-2-(3-bromo-2-chlorophenyl)ethyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)C(C2=C(C(=CC=C2)Br)Cl)Cl

DOS

IR

Vibrations