Geometry & MOs

Info

ID:	291268
PubChem CID:	111978349
Reduced:	BrIN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	518.16549
ΔH_f, kcal/mol:	64.68
Dipole, Da:	4.01
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN2CC(CCC2=N1)NC(=NC)NCC3=CC=C(C=C3)Br.I

DOS

IR

Vibrations