Geometry & MOs

Info

ID:	348295
PubChem CID:	127273360
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	4.01
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CC3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations