Geometry & MOs

Info

ID:	172758
PubChem CID:	75548416
Reduced:	O2N3C14H21 (2)
Stoich.:	A2B3C14D21 (2)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	-180.68
Dipole, Da:	1.84
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-3,5-dioxo-2-phenyl-1,2,4-triazinan-6-yl)-N-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=O)N3C4CC(CCC4C(=O)N(C3N2)CC(C)C)C(=O)NC(C)CC

DOS

IR

Vibrations