Geometry & MOs

Info

ID:	205017
PubChem CID:	80043989
Reduced:	SN2O3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	287.210996
ΔH_f, kcal/mol:	4.96
Dipole, Da:	6.14
IP(EA), eV:	-9.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)SC2=CC=NC=C2)[N+](=O)[O-])O

DOS

IR

Vibrations