Geometry & MOs

Info

ID:	291222
PubChem CID:	111978193
Reduced:	IF2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	360.212553
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.64)
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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)CC(F)F.I

DOS

IR

Vibrations