Geometry & MOs

Info

ID:	291248
PubChem CID:	111978265
Reduced:	BrIN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	551.18696
ΔH_f, kcal/mol:	70.91
Dipole, Da:	3.18
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCC3=NC(=NN3C2)C.I

DOS

IR

Vibrations