Geometry & MOs

Info

ID:	367201
PubChem CID:	127323971
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	19.0
Dipole, Da:	5.29
IP(EA), eV:	-8.83(-0.72)
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-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations