Geometry & MOs

Info

ID:	356846
PubChem CID:	127292438
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	399.274659
ΔH_f, kcal/mol:	36.02
Dipole, Da:	4.88
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations