Geometry & MOs

Info

ID:	367461
PubChem CID:	127324701
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	2.1
Dipole, Da:	2.45
IP(EA), eV:	-9.29(0.17)
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-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCCC3CC4=CC=CC=C4

DOS

IR

Vibrations