Geometry & MOs

Info

ID:	214602
PubChem CID:	85083261
Reduced:	PF3N3O8C23H23 (1)
Stoich.:	AB3C3D8E23F23 (1)
Weight, g/mol:	556.18945
ΔH_f, kcal/mol:	-476.81
Dipole, Da:	5.06
IP(EA), eV:	-9.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl)but-2-enyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)CC2=CC=C(C=C2)C(F)(F)F)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)CC(=O)O

DOS

IR

Vibrations