Geometry & MOs

Info

ID:	337520
PubChem CID:	127258143
Reduced:	PO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	422.201082
ΔH_f, kcal/mol:	-230.0
Dipole, Da:	3.03
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C1=C(C=CC2=CC=CC=C21)O)OC(C)C

DOS

IR

Vibrations