Geometry & MOs

Info

ID:	291267
PubChem CID:	111978348
Reduced:	BrN6C19H27 (1)
Stoich.:	AB6C19D27 (1)
Weight, g/mol:	532.0447
ΔH_f, kcal/mol:	61.6
Dipole, Da:	4.44
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCC3=NC(=NN3C2)C(C)C

DOS

IR

Vibrations