Geometry & MOs

Info

ID:	58487
PubChem CID:	24702041
Reduced:	BrN2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	7.83
Dipole, Da:	4.99
IP(EA), eV:	-9.79(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-2-oxoethoxy)-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O

DOS

IR

Vibrations