Geometry & MOs

Info

ID:	168405
PubChem CID:	74963662
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	579.219235
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	2.75
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxabicyclo[2.2.1]heptan-3-yl]-5-methyl-1,3-diazinane-2,4-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1CN=C(O1)C2=CC(=CC=C2)O

DOS

IR

Vibrations