Geometry & MOs

Info

ID:	72899
PubChem CID:	48416663
Reduced:	BrFO2N3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	2.31
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]butoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)Br)F)N3CCNC3=O

DOS

IR

Vibrations