Geometry & MOs

Info

ID:	358687
PubChem CID:	127296477
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-7-(4-methylidenepiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations