Geometry & MOs

Info

ID:	367452
PubChem CID:	127324677
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	2.44
IP(EA), eV:	-9.57(0.48)
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-(2-hydroxycyclohexyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CC3C

DOS

IR

Vibrations