Geometry & MOs

Info

ID:	277720
PubChem CID:	103830564
Reduced:	BrO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	5.35
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC=NN2)O)Br

DOS

IR

Vibrations