Geometry & MOs

Info

ID:	367431
PubChem CID:	127324609
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	30.25
Dipole, Da:	7.51
IP(EA), eV:	-8.73(-0.6)
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-(4-methylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N(C)CC3=CSC4=CC=CC=C43

DOS

IR

Vibrations