Geometry & MOs

Info

ID:	337476
PubChem CID:	127258099
Reduced:	PO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	402.195996
ΔH_f, kcal/mol:	-193.01
Dipole, Da:	4.42
IP(EA), eV:	-8.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene-1,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C(=C3)O)O)C(C)C

DOS

IR

Vibrations