Geometry & MOs

Info

ID:	165365
PubChem CID:	74540186
Reduced:	FNO4H15C22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	342.209599
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	6.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768266
Charge, e:	2

Chem-info

IUPAC name:

1-phenylethyl-[[4-(1-phenylethylazaniumylidenemethyl)phenyl]methylidene]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=C(C=C4)F)[O-]

DOS

IR

Vibrations