Geometry & MOs

Info

ID:	291221
PubChem CID:	111978192
Reduced:	OF2N5C24H37 (1)
Stoich.:	AB2C5D24E37 (1)
Weight, g/mol:	488.12485
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	2.82
IP(EA), eV:	-9.05(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)CC(F)F

DOS

IR

Vibrations