Geometry & MOs

Info

ID:	337516
PubChem CID:	127258139
Reduced:	PO3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	386.201082
ΔH_f, kcal/mol:	-180.18
Dipole, Da:	5.53
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[[(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=C2O)C(C)(C)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations