Geometry & MOs

Info

ID:	355111
PubChem CID:	127288043
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-162.47
Dipole, Da:	7.2
IP(EA), eV:	-8.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)[C@H]3CCC(=O)N3)OC

DOS

IR

Vibrations