Geometry & MOs

Info

ID:	191564
PubChem CID:	78164118
Reduced:	PF3N3O5C19H21 (1)
Stoich.:	AB3C3D5E19F21 (1)
Weight, g/mol:	461.211373
ΔH_f, kcal/mol:	-364.9
Dipole, Da:	6.03
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl]-trifluoroboranuide

Drug info:

PubChemData

Smile

C1CNC1C2=NC=C(C=C2)C3=CC=C(C=C3)C(C(CF)NC(=O)C(F)F)OP(=O)(O)O

DOS

IR

Vibrations