Geometry & MOs

Info

ID:	37326
PubChem CID:	8019806
Reduced:	Cl2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	394.141638
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	2.33
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations