Geometry & MOs

Info

ID:	367152
PubChem CID:	127323568
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-23.73
Dipole, Da:	6.09
IP(EA), eV:	-9.36(-1.55)
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)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations