Geometry & MOs

Info

ID:	263288
PubChem CID:	103353175
Reduced:	ON2F3C13H25 (1)
Stoich.:	AB2C3D13E25 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-231.86
Dipole, Da:	3.1
IP(EA), eV:	-8.64(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)CCCOCC(F)(F)F

DOS

IR

Vibrations