Geometry & MOs

Info

ID:	165687
PubChem CID:	74583455
Reduced:	F2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	401.270522
ΔH_f, kcal/mol:	13.51
Dipole, Da:	12.77
IP(EA), eV:	-5.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-N-(2-phenylethyl)piperidin-1-ium-3-amine

Drug info:

PubChemData

Smile

C1CC2(CCN(C2)CC3=NC=C[NH2+]3)C[NH+](C1)CC4=C(C(=CC=C4)F)F

DOS

IR

Vibrations