Geometry & MOs

Info

ID:	190145
PubChem CID:	77959934
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	249.132494
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	5.09
IP(EA), eV:	-9.13(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(borinin-2-yl)-6-piperidin-2-ylidenecyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CNC2CC3CNCC3C2)N

DOS

IR

Vibrations