Geometry & MOs

Info

ID:	367435
PubChem CID:	127324613
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	14.45
Dipole, Da:	3.33
IP(EA), eV:	-9.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCC3C4=CC=NC=C4

DOS

IR

Vibrations