Geometry & MOs

Info

ID:	291247
PubChem CID:	111978264
Reduced:	BrON7C19H26 (1)
Stoich.:	ABC7D19E26 (1)
Weight, g/mol:	518.02905
ΔH_f, kcal/mol:	39.64
Dipole, Da:	3.26
IP(EA), eV:	-9.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=NCC3=CC=C(C=C3)Br)NCC(=O)N(C)C

DOS

IR

Vibrations