Geometry & MOs

Info

ID:	218081
PubChem CID:	85088831
Reduced:	N2O2H9C12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	426.132394
ΔH_f, kcal/mol:	38.21
Dipole, Da:	4.83
IP(EA), eV:	-9.07(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-butoxy-2-methyl-4-phenylmethoxyoxan-3-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations