Geometry & MOs

Info

ID:	367257
PubChem CID:	127324034
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	2.53
IP(EA), eV:	-9.51(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CC4CCC3(C4(C)C)C

DOS

IR

Vibrations