Geometry & MOs

Info

ID:	419012
PubChem CID:	135107317
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	45.66
Dipole, Da:	4.89
IP(EA), eV:	-9.58(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=NC5=CC=CC=C5N=C4

DOS

IR

Vibrations