Geometry & MOs

Info

ID:	291275
PubChem CID:	111978384
Reduced:	BrFON4C19H26 (1)
Stoich.:	ABCD4E19F26 (1)
Weight, g/mol:	466.12296
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	3.26
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)NC2CCCC(C2)C(=O)NC3CC3

DOS

IR

Vibrations