Geometry & MOs

Info

ID:	404406
PubChem CID:	135066171
Reduced:	PN2O2C5H9 (2)
Stoich.:	AB2C2D5E9 (2)
Weight, g/mol:	330.174867
ΔH_f, kcal/mol:	-146.93
Dipole, Da:	6.83
IP(EA), eV:	-7.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphonoylnaphthalene

Drug info:

PubChemData

Smile

C[N+]1=C(NC=C1)P(=O)(CCP(=O)(C2=[N+](C=CN2)C)O)O

DOS

IR

Vibrations