Geometry & MOs

Info

ID:	280480
PubChem CID:	103849496
Reduced:	BrClN2O3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	2.43
IP(EA), eV:	-10.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=C(N=CC(=C2)Br)Cl)O

DOS

IR

Vibrations