Geometry & MOs

Info

ID:	368419
PubChem CID:	127328344
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	6.58
IP(EA), eV:	-9.48(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations