Geometry & MOs

Info

ID:	159653
PubChem CID:	57288587
Reduced:	O8C9H16 (2)
Stoich.:	A8B9C16 (2)
Weight, g/mol:	318.90304
ΔH_f, kcal/mol:	-712.67
Dipole, Da:	3.35
IP(EA), eV:	-10.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-propan-2-yloxybenzonitrile

Drug info:

PubChemData

Smile

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OCC(=O)[C@H]([C@@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations