Geometry & MOs

Info

ID:	367378
PubChem CID:	127324330
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	2.73
IP(EA), eV:	-9.49(0.26)
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-(1-phenylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations