Geometry & MOs

Info

ID:	423413
PubChem CID:	135119462
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	3.6
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)CN3CCC[C@]4(C3)CCC[C@H]4OC)C=CC=N2

DOS

IR

Vibrations