Geometry & MOs

Info

ID:	356720
PubChem CID:	127292201
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	2.48
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopentylpyrrolidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations