Geometry & MOs

Info

ID:	337508
PubChem CID:	127258131
Reduced:	NPO5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	386.201082
ΔH_f, kcal/mol:	-180.06
Dipole, Da:	5.46
IP(EA), eV:	-9.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-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=CC(=C3)[N+](=O)[O-])O)C(C)C

DOS

IR

Vibrations