Geometry & MOs

Info

ID:	337511
PubChem CID:	127258134
Reduced:	NPO5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	422.201082
ΔH_f, kcal/mol:	-171.51
Dipole, Da:	6.72
IP(EA), eV:	-9.78(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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)[N+](=O)[O-])O)C(C)C

DOS

IR

Vibrations