Geometry & MOs

Info

ID:	369034
PubChem CID:	127331140
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	1.67
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations