Geometry & MOs

Info

ID:	229229
PubChem CID:	87567223
Reduced:	FNPO3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	291.11978
ΔH_f, kcal/mol:	-204.99
Dipole, Da:	4.56
IP(EA), eV:	-10.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dibutylpiperidin-1-ium-4-one;bromide

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(CC1=CC(=C(C=C1)C#N)F)O

DOS

IR

Vibrations