Geometry & MOs

Info

ID:	367444
PubChem CID:	127324627
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	3.33
IP(EA), eV:	-8.95(0.41)
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-(3-fluorophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations