Geometry & MOs

Info

ID:	437964
PubChem CID:	135227417
Reduced:	NC3P3O7H12 (1)
Stoich.:	AB3C3D7E12 (1)
Weight, g/mol:	400.139862
ΔH_f, kcal/mol:	-435.54
Dipole, Da:	4.27
IP(EA), eV:	-9.41(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyridin-2-ylmethyl)-8-[4-(trifluoromethyl)phenyl]-4,6-dihydro-1,3,5-benzodioxazocine

Drug info:

PubChemData

Smile

C(N(CP(=O)(O)O)CP(=O)(O)O)PO

DOS

IR

Vibrations