Geometry & MOs

Info

ID:	280543
PubChem CID:	103849818
Reduced:	Br2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	6.78
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CNC3=CC(=C(C=C32)Br)Br)O

DOS

IR

Vibrations