Geometry & MOs

Info

ID:	404165
PubChem CID:	135065247
Reduced:	BrClNOH15C17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	342.081934
ΔH_f, kcal/mol:	7.98
Dipole, Da:	2.11
IP(EA), eV:	-9.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@]1([C@H](CN=C(O1)C2=CC=C(C=C2)Br)Cl)C3=CC=CC=C3

DOS

IR

Vibrations