Geometry & MOs

Info

ID:	179932
PubChem CID:	76558125
Reduced:	ClNOPTiC27H33 (1)
Stoich.:	ABCDEF27G33 (1)
Weight, g/mol:	323.96119
ΔH_f, kcal/mol:	64.83
Dipole, Da:	24.06
IP(EA), eV:	-5.11(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;1-phenyl-4-(trifluoromethyl)benzene-5-ide;bromide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)PC2=CC=CC=C2C[N-]C3=CC=CC=C3)O)C(C)(C)C.Cl[Ti+]

DOS

IR

Vibrations