Geometry & MOs

Info

ID:	351553
PubChem CID:	127280445
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	4.0
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations