Geometry & MOs

Info

ID:	309847
PubChem CID:	126562188
Reduced:	BrO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	323.03817
ΔH_f, kcal/mol:	45.98
Dipole, Da:	1.82
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-ylidene]amino]oxypropanenitrile

Drug info:

PubChemData

Smile

C1C(CN1CCO)ON=C2CN(C2)C3=NC=C(C=N3)Br

DOS

IR

Vibrations