Geometry & MOs

Info

ID:	291263
PubChem CID:	111978339
Reduced:	IN6C22H29 (1)
Stoich.:	AB6C22D29 (1)
Weight, g/mol:	510.19679
ΔH_f, kcal/mol:	88.77
Dipole, Da:	2.2
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(2-ethyl-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(=NCC3=CC=CC4=CC=CC=C43)NCC.I

DOS

IR

Vibrations