Geometry & MOs

Info

ID:	404231
PubChem CID:	135065506
Reduced:	PO2C24H37 (1)
Stoich.:	AB2C24D37 (1)
Weight, g/mol:	422.237467
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	4.86
IP(EA), eV:	-9.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-2-[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-(2-phenylethynyl)phosphoryl]benzene

Drug info:

PubChemData

Smile

CCCCCCC#CP(=O)(C1=CC=CC=C1)O[C@@H]2C[C@H](CC[C@H]2C(C)C)C

DOS

IR

Vibrations