Geometry & MOs

Info

ID:	291262
PubChem CID:	111978332
Reduced:	N6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	504.14984
ΔH_f, kcal/mol:	104.83
Dipole, Da:	7.39
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations