Geometry & MOs

Info

ID:	291226
PubChem CID:	111978210
Reduced:	BrFN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	515.15459
ΔH_f, kcal/mol:	10.45
Dipole, Da:	3.84
IP(EA), eV:	-8.39(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-(5-methylpyridin-2-yl)piperidin-4-yl]-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NC2CCN(CC2)C3=NC=C(C=C3)C

DOS

IR

Vibrations