Geometry & MOs

Info

ID:	291249
PubChem CID:	111978267
Reduced:	ION7C23H34 (1)
Stoich.:	ABC7D23E34 (1)
Weight, g/mol:	476.11854
ΔH_f, kcal/mol:	19.32
Dipole, Da:	4.65
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=NC)NCC(=O)N3CCC(CC3)CC4=CC=CC=C4.I

DOS

IR

Vibrations