Geometry & MOs

Info

ID:	367310
PubChem CID:	127324089
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	3.65
IP(EA), eV:	-9.51(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCCC3CC4CCC3C4

DOS

IR

Vibrations