Geometry & MOs

Info

ID:	280413
PubChem CID:	103849125
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	3.41
IP(EA), eV:	-9.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)/C=C/C2=CC=CC=C2Br)O

DOS

IR

Vibrations