Geometry & MOs

Info

ID:	121631
PubChem CID:	50775249
Reduced:	O4N5H27C29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	4.04
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations