Geometry & MOs

Info

ID:	367438
PubChem CID:	127324616
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	317.196408
ΔH_f, kcal/mol:	7.33
Dipole, Da:	1.74
IP(EA), eV:	-8.54(0.27)
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-(2-pyrazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations