Geometry & MOs

Info

ID:	291208
PubChem CID:	111978160
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	567.16819
ΔH_f, kcal/mol:	-40.16
Dipole, Da:	4.61
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)C(=O)OC

DOS

IR

Vibrations