Geometry & MOs

Info

ID:	404230
PubChem CID:	135065505
Reduced:	PN2O3C30H31 (1)
Stoich.:	AB2C3D30E31 (1)
Weight, g/mol:	388.253117
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	3.54
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oct-1-ynylphosphoryl]benzene

Drug info:

PubChemData

Smile

CC(C)NP(=NC(=O)OC)(C1=CC=CC=C1)C2=CC=CC=C2C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations