Geometry & MOs

Info

ID:	367449
PubChem CID:	127324674
Reduced:	ON7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	6.31
Dipole, Da:	3.77
IP(EA), eV:	-9.33(0.33)
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-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations