Geometry & MOs

Info

ID:	360973
PubChem CID:	127301804
Reduced:	N4O5C14H20 (1)
Stoich.:	A4B5C14D20 (1)
Weight, g/mol:	373.175004
ΔH_f, kcal/mol:	-206.46
Dipole, Da:	7.19
IP(EA), eV:	-9.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations