Geometry & MOs

Info

ID:	291258
PubChem CID:	111978322
Reduced:	BrN6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	476.11854
ΔH_f, kcal/mol:	91.48
Dipole, Da:	6.35
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(naphthalen-1-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCC3=NC=NN3C2

DOS

IR

Vibrations