Geometry & MOs

Info

ID:	56317
PubChem CID:	17425086
Reduced:	BrO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	330.073953
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CNC3=CC=C(C=C3)Br

DOS

IR

Vibrations