Geometry & MOs

Info

ID:	214526
PubChem CID:	85083154
Reduced:	F2N5O6C26H29 (1)
Stoich.:	A2B5C6D26E29 (1)
Weight, g/mol:	544.18945
ΔH_f, kcal/mol:	-306.94
Dipole, Da:	1.67
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)CN(C)C)F)F

DOS

IR

Vibrations