Geometry & MOs

Info

ID:	371268
PubChem CID:	127344624
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	2.53
IP(EA), eV:	-8.61(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)NC3CCCN(C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations