Geometry & MOs

Info

ID:	291284
PubChem CID:	111978448
Reduced:	BrN5C18H24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	550.19171
ΔH_f, kcal/mol:	79.17
Dipole, Da:	3.51
IP(EA), eV:	-9.05(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations