Geometry & MOs

Info

ID:	367433
PubChem CID:	127324611
Reduced:	OF3N6C15H23 (1)
Stoich.:	AB3C6D15E23 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-176.11
Dipole, Da:	2.8
IP(EA), eV:	-9.37(0.34)
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-phenylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCN(CC3)CC(F)(F)F

DOS

IR

Vibrations