Geometry & MOs

Info

ID:	367311
PubChem CID:	127324090
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	344.207307
ΔH_f, kcal/mol:	31.45
Dipole, Da:	4.08
IP(EA), eV:	-9.65(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CNC(=O)NCCN3C=CC=N3)C1

DOS

IR

Vibrations