Geometry & MOs

Info

ID:	360992
PubChem CID:	127301852
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	3.97
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations