Geometry & MOs

Info

ID:	306658
PubChem CID:	125165205
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	0.49
Dipole, Da:	5.54
IP(EA), eV:	-8.64(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H]1C=CCN1C(=O)NC2=C(N(N=C2)C)C

DOS

IR

Vibrations