Geometry & MOs

Info

ID:	359482
PubChem CID:	127298756
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	335.177982
ΔH_f, kcal/mol:	11.29
Dipole, Da:	8.41
IP(EA), eV:	-8.48(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations