Geometry & MOs

Info

ID:	170902
PubChem CID:	75296165
Reduced:	PN3O8C11H26 (1)
Stoich.:	AB3C8D11E26 (1)
Weight, g/mol:	429.206385
ΔH_f, kcal/mol:	-426.17
Dipole, Da:	4.82
IP(EA), eV:	-10.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-1-(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)triazole

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(=CC1O)P(=O)(O)O)OCC(CO)O.N.N

DOS

IR

Vibrations