Geometry & MOs

Info

ID:	280541
PubChem CID:	103849812
Reduced:	BrN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	3.28
IP(EA), eV:	-9.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CNC(=O)C2=CC=C(O2)Br)O

DOS

IR

Vibrations