Geometry & MOs

Info

ID:	337509
PubChem CID:	127258132
Reduced:	PO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	402.195996
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	4.5
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations