Geometry & MOs

Info

ID:	134339
PubChem CID:	51683367
Reduced:	N2C17H28 (1)
Stoich.:	A2B17C28 (1)
Weight, g/mol:	248.225249
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	0.76
IP(EA), eV:	-8.52(0.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(3-methylphenyl)methyl-[(2S)-1-piperidin-1-ium-1-ylpropan-2-yl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN[C@H](C)CN2CCCCC2

DOS

IR

Vibrations