Geometry & MOs

Info

ID:	142588
PubChem CID:	53063520
Reduced:	O4N7H19C21 (1)
Stoich.:	A4B7C19D21 (1)
Weight, g/mol:	480.131281
ΔH_f, kcal/mol:	-9.65
Dipole, Da:	9.18
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-3-[3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C3=NOC(=N3)CCC(=O)NC4=CN=CC=C4)C

DOS

IR

Vibrations