Geometry & MOs

Info

ID:	205019
PubChem CID:	80044759
Reduced:	ClN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	351.10586
ΔH_f, kcal/mol:	43.34
Dipole, Da:	2.39
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-8-bromo-N-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CCN(C1CCCCC1CN)C2=NN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations