Geometry & MOs

Info

ID:	370850
PubChem CID:	127341116
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	370.24811
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	3.48
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C(C)N2CCCC(C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations