Geometry & MOs

Info

ID:	291279
PubChem CID:	111978417
Reduced:	BrFIN5C21H28 (1)
Stoich.:	ABCD5E21F28 (1)
Weight, g/mol:	515.15459
ΔH_f, kcal/mol:	2.99
Dipole, Da:	3.17
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-(6-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=CC=CC(=N3)C.I

DOS

IR

Vibrations