Geometry & MOs

Info

ID:	219231
PubChem CID:	85096643
Reduced:	O5C29H40 (1)
Stoich.:	A5B29C40 (1)
Weight, g/mol:	469.323543
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	5.07
IP(EA), eV:	-8.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tricyclohexyl-[3-hydroxy-3-(3-phenylprop-2-enoxy)prop-2-enyl]phosphanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)CC=C(C)CC(=O)CC2(CC3C(=O)CC(=O)CC2(C3(C)C)C)C)OC

DOS

IR

Vibrations