Geometry & MOs

Info

ID:	340751
PubChem CID:	127262762
Reduced:	PO2C46H55 (1)
Stoich.:	AB2C46D55 (1)
Weight, g/mol:	584.320803
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	2.61
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl-[1-[2-(2,4,6-trimethylphenoxy)naphthalen-1-yl]naphthalen-2-yl]phosphane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(=O)(C6CCCCC6)C7CCCCC7)C(C)(C)C

DOS

IR

Vibrations