Geometry & MOs

Info

ID:	126821
PubChem CID:	50980068
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	24.86
Dipole, Da:	4.92
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=NON=C1C2CCCN2C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations