Geometry & MOs

Info

ID:	271295
PubChem CID:	103654212
Reduced:	BrON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	1.87
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-phenylmethoxyoxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC1=NC=C(C=N1)Br)O

DOS

IR

Vibrations