Geometry & MOs

Info

ID:	291265
PubChem CID:	111978345
Reduced:	IN6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	546.06035
ΔH_f, kcal/mol:	93.58
Dipole, Da:	6.03
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-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

CCC1=NN2CC(CCC2=N1)NC(=NC)NCC3=CC=CC4=CC=CC=C43.I

DOS

IR

Vibrations