Geometry & MOs

Info

ID:	348771
PubChem CID:	127273882
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	389.161853
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	3.77
IP(EA), eV:	-8.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations