Geometry & MOs

Info

ID:	362445
PubChem CID:	127307791
Reduced:	SO2N6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	385.186238
ΔH_f, kcal/mol:	32.57
Dipole, Da:	4.26
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations