Geometry & MOs

Info

ID:	291348
PubChem CID:	111978714
Reduced:	BrFN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	524.17606
ΔH_f, kcal/mol:	31.83
Dipole, Da:	2.41
IP(EA), eV:	-9.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCC2=CC=NN2C

DOS

IR

Vibrations