Geometry & MOs

Info

ID:	387116
PubChem CID:	134984066
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	490.141394
ΔH_f, kcal/mol:	46.37
Dipole, Da:	4.06
IP(EA), eV:	-10.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dimethyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CC(C)N=[N+]([O-])OCC1=CC=C(C=C1)C#N

DOS

IR

Vibrations