Geometry & MOs

Info

ID:	347302
PubChem CID:	127272096
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	23.27
Dipole, Da:	6.42
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC3=CN(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations