Geometry & MOs

Info

ID:	121664
PubChem CID:	50776316
Reduced:	O2N3H10C11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	432.154603
ΔH_f, kcal/mol:	2.43
Dipole, Da:	1.84
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C3=NOC(=N3)C(=O)N(C)CC4=CC=CC=C4)C

DOS

IR

Vibrations