Geometry & MOs

Info

ID:	126930
PubChem CID:	50984662
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	3.94
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-methyl-3-[5-(2-phenylethyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N(CC2=CC=CC=N2)CC3=CC=CO3

DOS

IR

Vibrations