Geometry & MOs

Info

ID:	280391
PubChem CID:	103848886
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	3.17
IP(EA), eV:	-9.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)O

DOS

IR

Vibrations