Geometry & MOs

Info

ID:	291264
PubChem CID:	111978343
Reduced:	IN6C22H35 (1)
Stoich.:	AB6C22D35 (1)
Weight, g/mol:	490.13419
ΔH_f, kcal/mol:	36.2
Dipole, Da:	7.03
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=NCC3=CC=C(C=C3)C(C)(C)C)NCC.I

DOS

IR

Vibrations